http://journals.iucr.org/e/issues/2008/06/00/isscontsbdy.html Structure Reports Online was launched in January 2001 as the IUCr's first electronic-only journal. It is a rapid communication journal for the publication of concise reports on inorganic, metal-organic and organic structures, and benefits from an enhanced electronic publication procedure. Each published report includes a set of key indicators, giving a summary of the main descriptors of the precision and completeness of the study, with indications of problems such as disorder. The publication of routine as well as more difficult structures is encouraged, with appropriate comment by authors on the problems encountered, and reflection of these in the key indicators. en 2008-06-15 International Union of Crystallography International Union of Crystallography http://journals.iucr.org urn:issn:1600-5368 Structure Reports Online was launched in January 2001 as the IUCr's first electronic-only journal. It is a rapid communication journal for the publication of concise reports on inorganic, metal-organic and organic structures, and benefits from an enhanced electronic publication procedure. Each published report includes a set of key indicators, giving a summary of the main descriptors of the precision and completeness of the study, with indications of problems such as disorder. The publication of routine as well as more difficult structures is encouraged, with appropriate comment by authors on the problems encountered, and reflection of these in the key indicators. text/html Acta Crystallographica Section E: Structure Reports Online, Volume 64, Part 6, 2008 text monthly 1 2002-01-01T00:00+00:00 6 64 2008-06-15 Acta Crystallographica Section E: Structure Reports Online i28 urn:issn:1600-5368 med@iucr.org June 2008 2008-06-15 http://journals.iucr.org/logos/rss10e.gif http://journals.iucr.org/e/issues/2008/06/00/isscontsbdy.html Still image http://scripts.iucr.org/cgi-bin/paper?wm2175 Single crystals of triclinic Pr2(B2O5)(MoO4) were prepared from an incongruently melting flux in the system Pr2O3–MoO3–B2O3 in a platinum crucible in an atmosphere of air. In the crystal structure, distorted edge-sharing [PrO8] square antiprisms form a three-dimensional framework. These are further linked by isolated [MoO4] tetrahedra and isolated pyroborate groups [B2O5], the latter consisting of two independent trigonal [BO3] groups sharing one O atom. The [MoO4] tetrahedra and the [B2O5] groups are arranged in alternating layers parallel to the ab plane. urn:issn:1600-5368 Held, P. Becker, P. 2008-05-03 doi:10.1107/S1600536808010386 International Union of Crystallography Single crystals of triclinic Pr2(B2O5)(MoO4) were prepared from an incongruently melting flux in the system Pr2O3–MoO3–B2O3 in a platinum crucible in an atmosphere of air. In the crystal structure, distorted edge-sharing [PrO8] square antiprisms form a three-dimensional framework. These are further linked by isolated [MoO4] tetrahedra and isolated pyroborate groups [B2O5], the latter consisting of two independent trigonal [BO3] groups sharing one O atom. The [MoO4] tetrahedra and the [B2O5] groups are arranged in alternating layers parallel to the ab plane. en Single crystals of triclinic Pr2(B2O5)(MoO4) were prepared from an incongruently melting flux in the system Pr2O3–MoO3–B2O3 in a platinum crucible in an atmosphere of air. In the crystal structure, distorted edge-sharing [PrO8] square antiprisms form a three-dimensional framework. These are further linked by isolated [MoO4] tetrahedra and isolated pyroborate groups [B2O5], the latter consisting of two independent trigonal [BO3] groups sharing one O atom. The [MoO4] tetrahedra and the [B2O5] groups are arranged in alternating layers parallel to the ab plane. text/html Dipraseodymium(III) pyroborate molybdate(VI), Pr2(B2O5)(MoO4) text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online inorganic compounds i28 i28 http://scripts.iucr.org/cgi-bin/paper?si2082 Single crystals of monoclinic Nd2W2O9 were obtained by growth from tungsten borate flux in an atmosphere of air. The crystal structure consists of chains of distorted [WO6] octahedra that run along the c axis of the structure, and of [NdO9] polyhedra that are connected via common faces and common edges to form a three-dimensional framework. urn:issn:1600-5368 Held, P. Becker, P. 2008-05-03 doi:10.1107/S1600536808009914 International Union of Crystallography Single crystals of monoclinic Nd2W2O9 were obtained by growth from tungsten borate flux in an atmosphere of air. The crystal structure consists of chains of distorted [WO6] octahedra that run along the c axis of the structure, and of [NdO9] polyhedra that are connected via common faces and common edges to form a three-dimensional framework. en Single crystals of monoclinic Nd2W2O9 were obtained by growth from tungsten borate flux in an atmosphere of air. The crystal structure consists of chains of distorted [WO6] octahedra that run along the c axis of the structure, and of [NdO9] polyhedra that are connected via common faces and common edges to form a three-dimensional framework. text/html Dineodymium(III) ditungstate(VI), Nd2W2O9 text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online inorganic compounds i29 i29 http://scripts.iucr.org/cgi-bin/paper?fi2061 We present a new low-temperature refinement of disodium zinc bis(sulfate) tetrahydrate {systematic name: poly[tetra-μ-aqua-di-μ-sulfato-zinc(II)disodium(I)]}, [Na2Zn(SO4)2(H2O)4]n or Zn astrakanite, which is an upgrade of previously reported data [Bukin & Nozik (1974). Zh. Strukt. Khim. 15, 712–716]. The compound is part of an isostructural family containing the Mg (the original astrakanite mineral), Co and Ni species. The very regular ZnO(aqua)4O(sulfate)2 octahedra lie on centres of symmetry, while the rather distorted NaO(aqua)2O(sulfate)4 octahedra appear at general positions, linked into a three-dimensional network by the bridging water molecules and the fully coordinated sulfate groups. urn:issn:1600-5368 Díaz de Vivar, M.E. Baggio, S. Ibáñez, A. Baggio, R. 2008-05-07 doi:10.1107/S1600536808009719 International Union of Crystallography We present a new low-temperature refinement of disodium zinc bis(sulfate) tetrahydrate {systematic name: poly[tetra-μ-aqua-di-μ-sulfato-zinc(II)disodium(I)]}, [Na2Zn(SO4)2(H2O)4]n or Zn astrakanite, which is an upgrade of previously reported data [Bukin & Nozik (1974). Zh. Strukt. Khim. 15, 712–716]. The compound is part of an isostructural family containing the Mg (the original astrakanite mineral), Co and Ni species. The very regular ZnO(aqua)4O(sulfate)2 octahedra lie on centres of symmetry, while the rather distorted NaO(aqua)2O(sulfate)4 octahedra appear at general positions, linked into a three-dimensional network by the bridging water molecules and the fully coordinated sulfate groups. en We present a new low-temperature refinement of disodium zinc bis(sulfate) tetrahydrate {systematic name: poly[tetra-μ-aqua-di-μ-sulfato-zinc(II)disodium(I)]}, [Na2Zn(SO4)2(H2O)4]n or Zn astrakanite, which is an upgrade of previously reported data [Bukin & Nozik (1974). Zh. Strukt. Khim. 15, 712–716]. The compound is part of an isostructural family containing the Mg (the original astrakanite mineral), Co and Ni species. The very regular ZnO(aqua)4O(sulfate)2 octahedra lie on centres of symmetry, while the rather distorted NaO(aqua)2O(sulfate)4 octahedra appear at general positions, linked into a three-dimensional network by the bridging water molecules and the fully coordinated sulfate groups. text/html Disodium zinc bis(sulfate) tetrahydrate (zinc astrakanite) revisited text 6 64 2008-05-07 Acta Crystallographica Section E: Structure Reports Online inorganic compounds i30 i31 http://scripts.iucr.org/cgi-bin/paper?fi2062 The title compound, K4Sb2SnF14, is built from anionic layers, with an overall composition of [Sb2SnF14]4− extending parallel to the ac plane, and K+ cations. The layers are made up from vertex-sharing centrosymmetric SnF6 octahedra and Sb2F12 dimers. The Sn—F distances are in the range 1.9581 (14)–1.9611 (17) Å. The Sb polyhedra contain three short terminal Sb—F bonds [1.9380 (14)–2.0696 (15) Å], one short bridging bond [2.0609 (17) Å], one bridging bond of medium length [2.7516 (15) Å], and two longer bridging bonds [3.0471 (18) and 3.117 (2) Å]. The K+ ions are coordinated by F atoms with coordination numbers 10 and 8, and K—F bond lengths are in the range 2.6235 (16)–3.122 (2) Å. urn:issn:1600-5368 Gerasimenko, A.V. Merkulov, E.B. Usol'tseva, T.I. 2008-05-07 doi:10.1107/S1600536808012865 International Union of Crystallography The title compound, K4Sb2SnF14, is built from anionic layers, with an overall composition of [Sb2SnF14]4− extending parallel to the ac plane, and K+ cations. The layers are made up from vertex-sharing centrosymmetric SnF6 octahedra and Sb2F12 dimers. The Sn—F distances are in the range 1.9581 (14)–1.9611 (17) Å. The Sb polyhedra contain three short terminal Sb—F bonds [1.9380 (14)–2.0696 (15) Å], one short bridging bond [2.0609 (17) Å], one bridging bond of medium length [2.7516 (15) Å], and two longer bridging bonds [3.0471 (18) and 3.117 (2) Å]. The K+ ions are coordinated by F atoms with coordination numbers 10 and 8, and K—F bond lengths are in the range 2.6235 (16)–3.122 (2) Å. en The title compound, K4Sb2SnF14, is built from anionic layers, with an overall composition of [Sb2SnF14]4− extending parallel to the ac plane, and K+ cations. The layers are made up from vertex-sharing centrosymmetric SnF6 octahedra and Sb2F12 dimers. The Sn—F distances are in the range 1.9581 (14)–1.9611 (17) Å. The Sb polyhedra contain three short terminal Sb—F bonds [1.9380 (14)–2.0696 (15) Å], one short bridging bond [2.0609 (17) Å], one bridging bond of medium length [2.7516 (15) Å], and two longer bridging bonds [3.0471 (18) and 3.117 (2) Å]. The K+ ions are coordinated by F atoms with coordination numbers 10 and 8, and K—F bond lengths are in the range 2.6235 (16)–3.122 (2) Å. text/html Tetrapotassium diantimony(III) tin(IV) tetradecafluoride text 6 64 2008-05-07 Acta Crystallographica Section E: Structure Reports Online inorganic compounds i32 i32 http://scripts.iucr.org/cgi-bin/paper?bx2139 The asymmetric unit of the title compound, (C5H5BrN)2[SnBr6], contains one cation and one half-anion. The [SnBr6]2− anion is located on an inversion center and forms a quasi-regular octahedral arrangement. The crystal structure consists of two-dimensional supramolecular layers assembled via hydrogen-bonding interactions of N—H...Br—Sn [D...A = 3.375 (13)–3.562 (13) Å and D—H...A = 127–142°, along with C—Br...Br synthons [3.667 (2) and 3.778 (3) Å]. These layers are parallel to the bc plane and built up from anions interacting extensively with the six surrounding cations. urn:issn:1600-5368 Ali, B.F. Al-Far, R.H. Haddad, S.F. 2008-05-03 doi:10.1107/S1600536808012129 International Union of Crystallography The asymmetric unit of the title compound, (C5H5BrN)2[SnBr6], contains one cation and one half-anion. The [SnBr6]2− anion is located on an inversion center and forms a quasi-regular octahedral arrangement. The crystal structure consists of two-dimensional supramolecular layers assembled via hydrogen-bonding interactions of N—H...Br—Sn [D...A = 3.375 (13)–3.562 (13) Å and D—H...A = 127–142°, along with C—Br...Br synthons [3.667 (2) and 3.778 (3) Å]. These layers are parallel to the bc plane and built up from anions interacting extensively with the six surrounding cations. en The asymmetric unit of the title compound, (C5H5BrN)2[SnBr6], contains one cation and one half-anion. The [SnBr6]2− anion is located on an inversion center and forms a quasi-regular octahedral arrangement. The crystal structure consists of two-dimensional supramolecular layers assembled via hydrogen-bonding interactions of N—H...Br—Sn [D...A = 3.375 (13)–3.562 (13) Å and D—H...A = 127–142°, along with C—Br...Br synthons [3.667 (2) and 3.778 (3) Å]. These layers are parallel to the bc plane and built up from anions interacting extensively with the six surrounding cations. text/html Bis(2-bromopyridinium) hexabromidostannate(IV) text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m749 m750 http://scripts.iucr.org/cgi-bin/paper?cs2074 The asymmetric unit of the title compound, (C5H8N2)[HgBr4]·H2O, consists of one cation, one anion and one water molecule. The anion exhibits a distorted tetrahedral arrangement about the Hg atom. The crystal structure contains alternating sheets of cations (in the ac plane) and stacks of anions. Several strong hydrogen-bonding interactions (pyN—H...Br and C—H...Br; py is pyridine), along with O—H...Br interactions, connect the sheets of cations to the stacks of anions. Cation–cation π–π stacking is also present (C...C distances in the range 3.424–3.865 Å). The shortest Br...Br distance is 3.9527 (9) Å. urn:issn:1600-5368 Ali, B.F. Al-Far, R.H. Haddad, S.F. 2008-05-03 doi:10.1107/S1600536808012336 International Union of Crystallography The asymmetric unit of the title compound, (C5H8N2)[HgBr4]·H2O, consists of one cation, one anion and one water molecule. The anion exhibits a distorted tetrahedral arrangement about the Hg atom. The crystal structure contains alternating sheets of cations (in the ac plane) and stacks of anions. Several strong hydrogen-bonding interactions (pyN—H...Br and C—H...Br; py is pyridine), along with O—H...Br interactions, connect the sheets of cations to the stacks of anions. Cation–cation π–π stacking is also present (C...C distances in the range 3.424–3.865 Å). The shortest Br...Br distance is 3.9527 (9) Å. en The asymmetric unit of the title compound, (C5H8N2)[HgBr4]·H2O, consists of one cation, one anion and one water molecule. The anion exhibits a distorted tetrahedral arrangement about the Hg atom. The crystal structure contains alternating sheets of cations (in the ac plane) and stacks of anions. Several strong hydrogen-bonding interactions (pyN—H...Br and C—H...Br; py is pyridine), along with O—H...Br interactions, connect the sheets of cations to the stacks of anions. Cation–cation π–π stacking is also present (C...C distances in the range 3.424–3.865 Å). The shortest Br...Br distance is 3.9527 (9) Å. text/html 3-Ammoniopyridinium tetrabromidomercurate(II) monohydrate text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m751 m752 http://scripts.iucr.org/cgi-bin/paper?sj2487 In the crystal structure of the title compound, [Cu(C2H3O3)Cl(H2O)]n, the CuII ion is five-coordinate in a distorted square-pyramidal geometry. Two O atoms from a chelating glycolate anion, an O atom from a coordinated water molecule and a chloride anion comprise the basal plane. A chloride ion from a neighbouring unit occupies the apical position and these Cu—Cl—Cu bridges link the aquaglycolatocopper(II) units into one-dimensional chains along the [001] direction. These chains are connected by O—H...O and O—H...Cl hydrogen bonds, forming an infinite three-dimensional polymeric network. urn:issn:1600-5368 Fun, H.-K. John, J. Jebas, S.R. Balasubramanian, T. 2008-05-03 doi:10.1107/S1600536808012166 International Union of Crystallography In the crystal structure of the title compound, [Cu(C2H3O3)Cl(H2O)]n, the CuII ion is five-coordinate in a distorted square-pyramidal geometry. Two O atoms from a chelating glycolate anion, an O atom from a coordinated water molecule and a chloride anion comprise the basal plane. A chloride ion from a neighbouring unit occupies the apical position and these Cu—Cl—Cu bridges link the aquaglycolatocopper(II) units into one-dimensional chains along the [001] direction. These chains are connected by O—H...O and O—H...Cl hydrogen bonds, forming an infinite three-dimensional polymeric network. en In the crystal structure of the title compound, [Cu(C2H3O3)Cl(H2O)]n, the CuII ion is five-coordinate in a distorted square-pyramidal geometry. Two O atoms from a chelating glycolate anion, an O atom from a coordinated water molecule and a chloride anion comprise the basal plane. A chloride ion from a neighbouring unit occupies the apical position and these Cu—Cl—Cu bridges link the aquaglycolatocopper(II) units into one-dimensional chains along the [001] direction. These chains are connected by O—H...O and O—H...Cl hydrogen bonds, forming an infinite three-dimensional polymeric network. text/html catena-Poly[[aquaglycolatocopper(II)]-μ-chlorido] text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m753 m753 http://scripts.iucr.org/cgi-bin/paper?cv2390 In the title compound, [RuCl2(C16H32P2)2], the RuII ion is situated on a twofold rotation axis, so the asymmetric unit contains one half-molecule. The slightly distorted octahedral environment of the Ru center is formed by four P atoms [Ru—P = 2.4417 (6) and 2.4544 (6) Å] from two different (1S,1S′,2R,2R′)-TangPhos ligands [(1S,1S′,2R,2R′)-TangPhos = (1S,1S′,2R,2R′)-(+)-1,1′-di-tert-butyl-2,2′-diphospholane] and two Cl atoms [Ru—Cl = 2.4267 (5) Å]. urn:issn:1600-5368 Wang, C. Tao, H. Ji, B. 2008-05-03 doi:10.1107/S1600536808008301 International Union of Crystallography In the title compound, [RuCl2(C16H32P2)2], the RuII ion is situated on a twofold rotation axis, so the asymmetric unit contains one half-molecule. The slightly distorted octahedral environment of the Ru center is formed by four P atoms [Ru—P = 2.4417 (6) and 2.4544 (6) Å] from two different (1S,1S′,2R,2R′)-TangPhos ligands [(1S,1S′,2R,2R′)-TangPhos = (1S,1S′,2R,2R′)-(+)-1,1′-di-tert-butyl-2,2′-diphospholane] and two Cl atoms [Ru—Cl = 2.4267 (5) Å]. en In the title compound, [RuCl2(C16H32P2)2], the RuII ion is situated on a twofold rotation axis, so the asymmetric unit contains one half-molecule. The slightly distorted octahedral environment of the Ru center is formed by four P atoms [Ru—P = 2.4417 (6) and 2.4544 (6) Å] from two different (1S,1S′,2R,2R′)-TangPhos ligands [(1S,1S′,2R,2R′)-TangPhos = (1S,1S′,2R,2R′)-(+)-1,1′-di-tert-butyl-2,2′-diphospholane] and two Cl atoms [Ru—Cl = 2.4267 (5) Å]. text/html Dichloridobis[(1S,1S′,2R,2R′)-(+)-1,1′-di-tert-butyl-2,2′-diphospholane-κ2P,P′]ruthenium(II) text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m754 m754 http://scripts.iucr.org/cgi-bin/paper?bt2702 The Ni atom in the crystal structure of the centrosymmetric title compound, [Ni(C19H15N6S)2]·2C2H6OS, is N,S-chelated by the deprotonated Schiff bases in a square-planar geometry. The –CH=N—N=C(S)—NH—N=CH– frament is planar. The two indolyl –NH (donor) sites interact with dimethyl sulfoxide molecules to furnish a layer motif. urn:issn:1600-5368 Rizal, M.R. Ali, H.M. Ng, S.W. 2008-05-03 doi:10.1107/S1600536808011975 International Union of Crystallography The Ni atom in the crystal structure of the centrosymmetric title compound, [Ni(C19H15N6S)2]·2C2H6OS, is N,S-chelated by the deprotonated Schiff bases in a square-planar geometry. The –CH=N—N=C(S)—NH—N=CH– frament is planar. The two indolyl –NH (donor) sites interact with dimethyl sulfoxide molecules to furnish a layer motif. en The Ni atom in the crystal structure of the centrosymmetric title compound, [Ni(C19H15N6S)2]·2C2H6OS, is N,S-chelated by the deprotonated Schiff bases in a square-planar geometry. The –CH=N—N=C(S)—NH—N=CH– frament is planar. The two indolyl –NH (donor) sites interact with dimethyl sulfoxide molecules to furnish a layer motif. text/html Bis[1,5-bis(1H-indol-3-ylmethylene)thiocarbazonato-κ2N,S]nickel(II) dimethyl sulfoxide disolvate text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m755 m755 http://scripts.iucr.org/cgi-bin/paper?cs2072 In the title compound, [Cu(C16H11Cl2NO4)(H2O)]·1.5H2O, the CuII atom is coordinated by two O atoms and one N atom from the 2-[(3,5-dichloro-2-oxidobenzylidene)amino]-3-(4-hydroxyphenyl)propionate ligand, and by the O atom from a water molecule in a square-planar coordination. There are two formula units in the asymmetric unit. Molecules are further assembled into a three-dimensional network through C—H...Cl contacts, a Cu...Cl weak interaction [3.161 (2) Å], O—H...O and C—H...O hydrogen bonds. The three water molecules of the asymmetric unit are distributed over five positions with one full and two approximately half occupancies, while a tyrosine side chain in one of the complex molecules is disordered over two positions [occupancies 0.507 (5) and 0.493 (5)]. urn:issn:1600-5368 Liu, Z. Wang, Y.L. Wang, L. 2008-05-03 doi:10.1107/S1600536808012038 International Union of Crystallography In the title compound, [Cu(C16H11Cl2NO4)(H2O)]·1.5H2O, the CuII atom is coordinated by two O atoms and one N atom from the 2-[(3,5-dichloro-2-oxidobenzylidene)amino]-3-(4-hydroxyphenyl)propionate ligand, and by the O atom from a water molecule in a square-planar coordination. There are two formula units in the asymmetric unit. Molecules are further assembled into a three-dimensional network through C—H...Cl contacts, a Cu...Cl weak interaction [3.161 (2) Å], O—H...O and C—H...O hydrogen bonds. The three water molecules of the asymmetric unit are distributed over five positions with one full and two approximately half occupancies, while a tyrosine side chain in one of the complex molecules is disordered over two positions [occupancies 0.507 (5) and 0.493 (5)]. en In the title compound, [Cu(C16H11Cl2NO4)(H2O)]·1.5H2O, the CuII atom is coordinated by two O atoms and one N atom from the 2-[(3,5-dichloro-2-oxidobenzylidene)amino]-3-(4-hydroxyphenyl)propionate ligand, and by the O atom from a water molecule in a square-planar coordination. There are two formula units in the asymmetric unit. Molecules are further assembled into a three-dimensional network through C—H...Cl contacts, a Cu...Cl weak interaction [3.161 (2) Å], O—H...O and C—H...O hydrogen bonds. The three water molecules of the asymmetric unit are distributed over five positions with one full and two approximately half occupancies, while a tyrosine side chain in one of the complex molecules is disordered over two positions [occupancies 0.507 (5) and 0.493 (5)]. text/html Aqua{2-[(3,5-dichloro-2-oxidobenzylidene)amino]-3-(4-hydroxyphenyl)propionato-κ3O1,N,O2}copper(II) sesquihydrate text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m756 m756 http://scripts.iucr.org/cgi-bin/paper?ng2452 In the crystal structure of the title compound, [MnCl2(C12H8N2)2]·0.5C7H6O4·2H2O, the MnII complex assumes a distorted octahedral geometry formed by two chloride anions and two phenanthroline (phen) ligands. The 2,6-dihydroxybenzoic acid molecule is disordered about an inversion center. The face-to-face separations of 3.540 (11) and 3.429 (8) Å between parallel phen ligands indicate the existence of π–π stacking between adjacent MnII complexes. Uncoordinated water molecules are linked with complex and dihydroxybenzoic acid molecules via O—H...Cl and O—H...O hydrogen bonds. urn:issn:1600-5368 Yang, Q. Nie, J.-J. Xu, D.-J. 2008-05-03 doi:10.1107/S1600536808012427 International Union of Crystallography In the crystal structure of the title compound, [MnCl2(C12H8N2)2]·0.5C7H6O4·2H2O, the MnII complex assumes a distorted octahedral geometry formed by two chloride anions and two phenanthroline (phen) ligands. The 2,6-dihydroxybenzoic acid molecule is disordered about an inversion center. The face-to-face separations of 3.540 (11) and 3.429 (8) Å between parallel phen ligands indicate the existence of π–π stacking between adjacent MnII complexes. Uncoordinated water molecules are linked with complex and dihydroxybenzoic acid molecules via O—H...Cl and O—H...O hydrogen bonds. en In the crystal structure of the title compound, [MnCl2(C12H8N2)2]·0.5C7H6O4·2H2O, the MnII complex assumes a distorted octahedral geometry formed by two chloride anions and two phenanthroline (phen) ligands. The 2,6-dihydroxybenzoic acid molecule is disordered about an inversion center. The face-to-face separations of 3.540 (11) and 3.429 (8) Å between parallel phen ligands indicate the existence of π–π stacking between adjacent MnII complexes. Uncoordinated water molecules are linked with complex and dihydroxybenzoic acid molecules via O—H...Cl and O—H...O hydrogen bonds. text/html cis-Dichloridobis(1,10-phenanthroline-κ2N,N′)manganese(II)–2,6-dihydroxybenzoic acid–water (2/1/4) text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m757 m757 http://scripts.iucr.org/cgi-bin/paper?pk2083 In the title complex, [ZnCl2(C8H7N3O2)2], the ZnII atom is coordinated by two chloride ions and two N atoms in a distorted tetrahedral coordination environment. In the crystal structure, molecules are linked by intermolecular C—H...O and O—H...O hydrogen bonds, forming a three-dimensional network. urn:issn:1600-5368 Hang, T. Ye, Q. 2008-05-03 doi:10.1107/S1600536808006399 International Union of Crystallography In the title complex, [ZnCl2(C8H7N3O2)2], the ZnII atom is coordinated by two chloride ions and two N atoms in a distorted tetrahedral coordination environment. In the crystal structure, molecules are linked by intermolecular C—H...O and O—H...O hydrogen bonds, forming a three-dimensional network. en In the title complex, [ZnCl2(C8H7N3O2)2], the ZnII atom is coordinated by two chloride ions and two N atoms in a distorted tetrahedral coordination environment. In the crystal structure, molecules are linked by intermolecular C—H...O and O—H...O hydrogen bonds, forming a three-dimensional network. text/html Bis[2-(1H-1,2,3-benzotriazol-1-yl)acetic acid-κN3]dichloridozinc(II) text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m758 m758 http://scripts.iucr.org/cgi-bin/paper?dn2335 The title compound, [CuBr(C9H9N5)]n, has been prepared by the solvothermal treatment of CuBr with 3-(2-allyl-2H-tetrazol-5-yl)pyridine. It is a new homometallic CuI olefin coordination polymer in which the CuI atoms are linked by the 3-(2-allyl-2H-tetrazol-5-yl)pyridine ligands and bonded to one terminal Br atom each. The organic ligand acts as a bidentate ligand connecting two neighboring Cu centers through the N atom of the pyridine ring and the double bond of the allyl group. A three-dimensional structure is formed through weak Cu—Br [3.1579 (8) Å], C—H...Br and C—H...N interactions. urn:issn:1600-5368 Wang, W. 2008-05-03 doi:10.1107/S1600536808010313 International Union of Crystallography The title compound, [CuBr(C9H9N5)]n, has been prepared by the solvothermal treatment of CuBr with 3-(2-allyl-2H-tetrazol-5-yl)pyridine. It is a new homometallic CuI olefin coordination polymer in which the CuI atoms are linked by the 3-(2-allyl-2H-tetrazol-5-yl)pyridine ligands and bonded to one terminal Br atom each. The organic ligand acts as a bidentate ligand connecting two neighboring Cu centers through the N atom of the pyridine ring and the double bond of the allyl group. A three-dimensional structure is formed through weak Cu—Br [3.1579 (8) Å], C—H...Br and C—H...N interactions. en The title compound, [CuBr(C9H9N5)]n, has been prepared by the solvothermal treatment of CuBr with 3-(2-allyl-2H-tetrazol-5-yl)pyridine. It is a new homometallic CuI olefin coordination polymer in which the CuI atoms are linked by the 3-(2-allyl-2H-tetrazol-5-yl)pyridine ligands and bonded to one terminal Br atom each. The organic ligand acts as a bidentate ligand connecting two neighboring Cu centers through the N atom of the pyridine ring and the double bond of the allyl group. A three-dimensional structure is formed through weak Cu—Br [3.1579 (8) Å], C—H...Br and C—H...N interactions. text/html catena-Poly[[bromidocopper(I)]-μ-η2,σ1-3-(2-allyl-2H-tetrazol-5-yl)pyridine] text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m759 m759 http://scripts.iucr.org/cgi-bin/paper?bt2691 In the title compound, [Cu(C13H14BrNO3)(C12H8N2)]·2H2O, the CuII atom is pentacoordinated in a square-pyramidal geometry. The crystal packing is stabilized by O—H...O hydrogen bonds. urn:issn:1600-5368 Liu, Z. Wang, Y.-L. Wang, Y. 2008-05-03 doi:10.1107/S1600536808009495 International Union of Crystallography In the title compound, [Cu(C13H14BrNO3)(C12H8N2)]·2H2O, the CuII atom is pentacoordinated in a square-pyramidal geometry. The crystal packing is stabilized by O—H...O hydrogen bonds. en In the title compound, [Cu(C13H14BrNO3)(C12H8N2)]·2H2O, the CuII atom is pentacoordinated in a square-pyramidal geometry. The crystal packing is stabilized by O—H...O hydrogen bonds. text/html {2-[(5-Bromo-2-oxidobenzylidene)amino-κ2N,O]-3-methylpentanoato-κO}(1,10-phenanthroline-κ2N,N′)copper(II) dihydrate text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m760 m760 http://scripts.iucr.org/cgi-bin/paper?bt2694 In the title compound, [Co(C16H8O8)(C12H8N2)2]·2H2O, the Co atom located on a twofold rotation axis. It is six-coordinated by two O atoms from one 5,5′-dicarboxybiphenyl-2,2′-dicarboxylate anion and four N atoms from two 1,10-phenanthroline molecules in a distorted octahedral environment. The crystal packing is stabilized by O—H...O hydrogen bonds. urn:issn:1600-5368 Chen, R. Guo, F. Meng, F. 2008-05-03 doi:10.1107/S160053680801012X International Union of Crystallography In the title compound, [Co(C16H8O8)(C12H8N2)2]·2H2O, the Co atom located on a twofold rotation axis. It is six-coordinated by two O atoms from one 5,5′-dicarboxybiphenyl-2,2′-dicarboxylate anion and four N atoms from two 1,10-phenanthroline molecules in a distorted octahedral environment. The crystal packing is stabilized by O—H...O hydrogen bonds. en In the title compound, [Co(C16H8O8)(C12H8N2)2]·2H2O, the Co atom located on a twofold rotation axis. It is six-coordinated by two O atoms from one 5,5′-dicarboxybiphenyl-2,2′-dicarboxylate anion and four N atoms from two 1,10-phenanthroline molecules in a distorted octahedral environment. The crystal packing is stabilized by O—H...O hydrogen bonds. text/html (5,5′-Dicarboxybiphenyl-2,2′-dicarboxylato-κ2O2,O2′)bis(1,10-phenanthroline-κ2N,N′)cobalt(II) dihydrate text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m761 m761 http://scripts.iucr.org/cgi-bin/paper?lh2585 In the title compound, [Cd(dien)2]I2, where dien = diethylenetriamine (C4H13N3), the CdII ion is in a distorted octahedral coordination environment. In the crystal structure, intermolecular N—H...I hydrogen bonds link cations and anions into a three-dimensional network. urn:issn:1600-5368 Huang, B. Liu, Z. Wang, L. 2008-05-03 doi:10.1107/S1600536808008040 International Union of Crystallography In the title compound, [Cd(dien)2]I2, where dien = diethylenetriamine (C4H13N3), the CdII ion is in a distorted octahedral coordination environment. In the crystal structure, intermolecular N—H...I hydrogen bonds link cations and anions into a three-dimensional network. en In the title compound, [Cd(dien)2]I2, where dien = diethylenetriamine (C4H13N3), the CdII ion is in a distorted octahedral coordination environment. In the crystal structure, intermolecular N—H...I hydrogen bonds link cations and anions into a three-dimensional network. text/html Bis(diethylenetriamine)cadmium(II) diiodide text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m762 m762 http://scripts.iucr.org/cgi-bin/paper?cv2394 In the title compound, [CuI(C13H12N2S)2]·H2O, each Cu(I) ion is coordinated by two S atoms [Cu—S 2.2282 (16), 2.2377 (15) Å] from two N,N′-diphenylthiourea ligands and one iodide ion [Cu—I 2.5170 (11) Å] in a trigonal planar geometry. The uncoordinated water molecules are involved in N—H...O hydrogen-bonding [N...O 2.947 (5), 3.055 (5) Å], which link the molecules into chains extended in the [101] direction. These chains are further paired by weak intermolecular O—H...S hydrogen bonds [O...S 3.490 (4) Å]. urn:issn:1600-5368 Jia, L. Kong, L. Li, D. 2008-05-03 doi:10.1107/S1600536808007861 International Union of Crystallography In the title compound, [CuI(C13H12N2S)2]·H2O, each Cu(I) ion is coordinated by two S atoms [Cu—S 2.2282 (16), 2.2377 (15) Å] from two N,N′-diphenylthiourea ligands and one iodide ion [Cu—I 2.5170 (11) Å] in a trigonal planar geometry. The uncoordinated water molecules are involved in N—H...O hydrogen-bonding [N...O 2.947 (5), 3.055 (5) Å], which link the molecules into chains extended in the [101] direction. These chains are further paired by weak intermolecular O—H...S hydrogen bonds [O...S 3.490 (4) Å]. en In the title compound, [CuI(C13H12N2S)2]·H2O, each Cu(I) ion is coordinated by two S atoms [Cu—S 2.2282 (16), 2.2377 (15) Å] from two N,N′-diphenylthiourea ligands and one iodide ion [Cu—I 2.5170 (11) Å] in a trigonal planar geometry. The uncoordinated water molecules are involved in N—H...O hydrogen-bonding [N...O 2.947 (5), 3.055 (5) Å], which link the molecules into chains extended in the [101] direction. These chains are further paired by weak intermolecular O—H...S hydrogen bonds [O...S 3.490 (4) Å]. text/html Bis(N,N′-diphenylthiourea)iodidocopper(I) monohydrate text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m763 m763 http://scripts.iucr.org/cgi-bin/paper?rz2208 In the title mononuclear complex, [Cu(C8H7O2)2(C7H6N2)2], the CuII atom lies on an inversion centre and is coordinated by two O atoms of two monodentate 4-methylbenzoate ligands and two N atoms of two benzimidazole ligands in a square-planar geometry. The molecules are linked into chains running parallel to the b axis by intermolecular N—H...O hydrogen bonds and by π–π stacking interactions [centroid–centroid distance = 3.669 (2) Å] involving centrosymmetrically related imidazole rings. urn:issn:1600-5368 Song, W.-D. Huang, X.-H. Wang, H. 2008-05-03 doi:10.1107/S1600536808012440 International Union of Crystallography In the title mononuclear complex, [Cu(C8H7O2)2(C7H6N2)2], the CuII atom lies on an inversion centre and is coordinated by two O atoms of two monodentate 4-methylbenzoate ligands and two N atoms of two benzimidazole ligands in a square-planar geometry. The molecules are linked into chains running parallel to the b axis by intermolecular N—H...O hydrogen bonds and by π–π stacking interactions [centroid–centroid distance = 3.669 (2) Å] involving centrosymmetrically related imidazole rings. en In the title mononuclear complex, [Cu(C8H7O2)2(C7H6N2)2], the CuII atom lies on an inversion centre and is coordinated by two O atoms of two monodentate 4-methylbenzoate ligands and two N atoms of two benzimidazole ligands in a square-planar geometry. The molecules are linked into chains running parallel to the b axis by intermolecular N—H...O hydrogen bonds and by π–π stacking interactions [centroid–centroid distance = 3.669 (2) Å] involving centrosymmetrically related imidazole rings. text/html Bis(1H-benzimidazole-κN3)bis(4-methylbenzoato-κ2O,O′)copper(II) text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m764 m764 http://scripts.iucr.org/cgi-bin/paper?gk2137 In the title polymeric complex, [Mn(C5H4NO3S)2(H2O)2]n, the Mn atom is located on a centre of inversion and is coordinated by two O atoms and two N atoms derived from four different pyridine-3-sulfonate (pySO3) ligands, and two O atoms derived from two water molecules in a distorted trans-N2O4 octahedral geometry. The metal atoms are bridged by the pySO3 ligands to form a one-dimensional chain. The chains are further connected into a three-dimensional architecture via hydrogen bonds. urn:issn:1600-5368 Qiu, Z.-H. Liang, F.-P. Ruan, Q.-F. Zhao, S.-R. 2008-05-03 doi:10.1107/S1600536808012282 International Union of Crystallography In the title polymeric complex, [Mn(C5H4NO3S)2(H2O)2]n, the Mn atom is located on a centre of inversion and is coordinated by two O atoms and two N atoms derived from four different pyridine-3-sulfonate (pySO3) ligands, and two O atoms derived from two water molecules in a distorted trans-N2O4 octahedral geometry. The metal atoms are bridged by the pySO3 ligands to form a one-dimensional chain. The chains are further connected into a three-dimensional architecture via hydrogen bonds. en In the title polymeric complex, [Mn(C5H4NO3S)2(H2O)2]n, the Mn atom is located on a centre of inversion and is coordinated by two O atoms and two N atoms derived from four different pyridine-3-sulfonate (pySO3) ligands, and two O atoms derived from two water molecules in a distorted trans-N2O4 octahedral geometry. The metal atoms are bridged by the pySO3 ligands to form a one-dimensional chain. The chains are further connected into a three-dimensional architecture via hydrogen bonds. text/html catena-Poly[[diaquamanganese(II)]-di-μ-pyridine-3-sulfonato-κ2N:O;κ2O:N] text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m765 m765 http://scripts.iucr.org/cgi-bin/paper?lh2617 In the title compound, [Gd(C8H6NO2)3]n, the GdIII ion is in a bicapped trigonal prismatic coordination environment formed by seven O atoms and one N atom, derived from seven different 3-(3-pyridyl)acrylate (3-PYA) ligands. GdIII ions are bridged by bidentate and tridentate 3-PYA ligands, resulting in a two-dimensional structure. urn:issn:1600-5368 Qiu, Z.-H. Liang, F.-P. Ruan, Q.-F. Chen, Z.-L. 2008-05-03 doi:10.1107/S1600536808012270 International Union of Crystallography In the title compound, [Gd(C8H6NO2)3]n, the GdIII ion is in a bicapped trigonal prismatic coordination environment formed by seven O atoms and one N atom, derived from seven different 3-(3-pyridyl)acrylate (3-PYA) ligands. GdIII ions are bridged by bidentate and tridentate 3-PYA ligands, resulting in a two-dimensional structure. en In the title compound, [Gd(C8H6NO2)3]n, the GdIII ion is in a bicapped trigonal prismatic coordination environment formed by seven O atoms and one N atom, derived from seven different 3-(3-pyridyl)acrylate (3-PYA) ligands. GdIII ions are bridged by bidentate and tridentate 3-PYA ligands, resulting in a two-dimensional structure. text/html Poly[[μ3-3-(3-pyridyl)acrylato-κ3N:O:O′][μ2-3-(3-pyridyl)acrylato-κ3O,O′:O][μ2-3-(3-pyridyl)acrylato-κ2O:O′)]gadolinium(III)] text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m766 m767 http://scripts.iucr.org/cgi-bin/paper?dn2338 The title compound, [Mn(C6H4N5)2(H2O)2], was synthesized by the hydrothermal reaction of Mn(NO3)2 with picolinonitrile in the presence of NaN3. The Mn atom lies on an inversion centre. The distorted octahedral Mn environment contains two planar trans-related N,N′-chelating 5-(2-pyridyl)tetrazolate ligands in the equatorial plane and two axial water molecules. O—H...N hydrogen bonds generate an infinite three-dimensional network. urn:issn:1600-5368 Wen, X.-C. 2008-05-03 doi:10.1107/S1600536808010106 International Union of Crystallography The title compound, [Mn(C6H4N5)2(H2O)2], was synthesized by the hydrothermal reaction of Mn(NO3)2 with picolinonitrile in the presence of NaN3. The Mn atom lies on an inversion centre. The distorted octahedral Mn environment contains two planar trans-related N,N′-chelating 5-(2-pyridyl)tetrazolate ligands in the equatorial plane and two axial water molecules. O—H...N hydrogen bonds generate an infinite three-dimensional network. en The title compound, [Mn(C6H4N5)2(H2O)2], was synthesized by the hydrothermal reaction of Mn(NO3)2 with picolinonitrile in the presence of NaN3. The Mn atom lies on an inversion centre. The distorted octahedral Mn environment contains two planar trans-related N,N′-chelating 5-(2-pyridyl)tetrazolate ligands in the equatorial plane and two axial water molecules. O—H...N hydrogen bonds generate an infinite three-dimensional network. text/html Diaqua[5-(2-pyridyl)tetrazolato-κ2N1,N5]manganese(II) text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m768 m768 http://scripts.iucr.org/cgi-bin/paper?lh2613 In the title complex, [Ni(NCS)2(C14H13N3)2]·2CH3OH, the NiII atom lies on a crystallographic twofold rotation axis and is in a slightly distorted octahedral NiN6 coordination environment. The crystal structure is stabilized by a combination of weak π–π stacking interactions between symmetry-related 1,10-phenanthroline ligands [centroi–centroid distance between benzene rings = 3.5936 (18) Å] and weak O—H...S, C—H...O and C—H...S hydrogen bonds between methanol and complex molecules. urn:issn:1600-5368 Zhang, S.G. Hu, T.Q. Li, H. 2008-05-03 doi:10.1107/S1600536808011811 International Union of Crystallography In the title complex, [Ni(NCS)2(C14H13N3)2]·2CH3OH, the NiII atom lies on a crystallographic twofold rotation axis and is in a slightly distorted octahedral NiN6 coordination environment. The crystal structure is stabilized by a combination of weak π–π stacking interactions between symmetry-related 1,10-phenanthroline ligands [centroi–centroid distance between benzene rings = 3.5936 (18) Å] and weak O—H...S, C—H...O and C—H...S hydrogen bonds between methanol and complex molecules. en In the title complex, [Ni(NCS)2(C14H13N3)2]·2CH3OH, the NiII atom lies on a crystallographic twofold rotation axis and is in a slightly distorted octahedral NiN6 coordination environment. The crystal structure is stabilized by a combination of weak π–π stacking interactions between symmetry-related 1,10-phenanthroline ligands [centroi–centroid distance between benzene rings = 3.5936 (18) Å] and weak O—H...S, C—H...O and C—H...S hydrogen bonds between methanol and complex molecules. text/html Bis(2-dimethylamino-1,10-phenanthroline-κ2N,N′)bis(thiocyanato-κN)nickel(II) methanol disolvate text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m769 m769 http://scripts.iucr.org/cgi-bin/paper?lh2603 In the title complex, [Zn(NCS)2(C13H10N2O)], the ZnII ion is in a distorted tetrahdral ZnN2Cl2 coordination environment. In the crystal structure, there is a weak π–π stacking interaction between adjacent 1,10-phenanthroline rings, with a pyridine centroid–centroid distance of 3.6620 (15) Å. urn:issn:1600-5368 Li, H. Hu, T.Q. Zhang, S.G. 2008-05-03 doi:10.1107/S1600536808011793 International Union of Crystallography In the title complex, [Zn(NCS)2(C13H10N2O)], the ZnII ion is in a distorted tetrahdral ZnN2Cl2 coordination environment. In the crystal structure, there is a weak π–π stacking interaction between adjacent 1,10-phenanthroline rings, with a pyridine centroid–centroid distance of 3.6620 (15) Å. en In the title complex, [Zn(NCS)2(C13H10N2O)], the ZnII ion is in a distorted tetrahdral ZnN2Cl2 coordination environment. In the crystal structure, there is a weak π–π stacking interaction between adjacent 1,10-phenanthroline rings, with a pyridine centroid–centroid distance of 3.6620 (15) Å. text/html (2-Methoxy-1,10-phenanthroline-κ2N,N′)bis(thiocyanato-κN)zinc(II) text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m770 m770 http://scripts.iucr.org/cgi-bin/paper?ww2117 There are two molecules of the title complex, [ZnCl2(C13H10N2O)], in the asymmetric unit. Each Zn atom assumes a distorted tetrahedral ZnN2Cl2 coordination geometry. There are weak π–π stacking interactions between adjacent 1,10-phenanthroline rings [centroid–centroid distances = 3.6356 (18) and 3.6353 (18) Å]. urn:issn:1600-5368 Li, H. Hu, T.Q. Zhang, S.G. 2008-05-03 doi:10.1107/S160053680801180X International Union of Crystallography There are two molecules of the title complex, [ZnCl2(C13H10N2O)], in the asymmetric unit. Each Zn atom assumes a distorted tetrahedral ZnN2Cl2 coordination geometry. There are weak π–π stacking interactions between adjacent 1,10-phenanthroline rings [centroid–centroid distances = 3.6356 (18) and 3.6353 (18) Å]. en There are two molecules of the title complex, [ZnCl2(C13H10N2O)], in the asymmetric unit. Each Zn atom assumes a distorted tetrahedral ZnN2Cl2 coordination geometry. There are weak π–π stacking interactions between adjacent 1,10-phenanthroline rings [centroid–centroid distances = 3.6356 (18) and 3.6353 (18) Å]. text/html Dichlorido(2-methoxy-1,10-phenanthroline-κ2N,N′)zinc(II) text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m771 m771 http://scripts.iucr.org/cgi-bin/paper?ya2068 The title compound, [Mn(C4H3N8)2(H2O)4]·2H2O, represents the first structurally characterized transition metal complex of the 1,2-bis(tetrazol-5-yl)ethene ligand. The complex molecule occupies a special position on an inversion centre and the Mn atom has a tetragonally distorted octahedral coordination. The bis(tetrazolyl)ethene ligand is planar within 0.0366 (7) Å. All `active' H atoms participate in hydrogen bonds, which link molecules of the complex and the uncoordinated water molecules into an infinite three-dimensional framework. urn:issn:1600-5368 Hu, T. 2008-05-03 doi:10.1107/S1600536808012464 International Union of Crystallography The title compound, [Mn(C4H3N8)2(H2O)4]·2H2O, represents the first structurally characterized transition metal complex of the 1,2-bis(tetrazol-5-yl)ethene ligand. The complex molecule occupies a special position on an inversion centre and the Mn atom has a tetragonally distorted octahedral coordination. The bis(tetrazolyl)ethene ligand is planar within 0.0366 (7) Å. All `active' H atoms participate in hydrogen bonds, which link molecules of the complex and the uncoordinated water molecules into an infinite three-dimensional framework. en The title compound, [Mn(C4H3N8)2(H2O)4]·2H2O, represents the first structurally characterized transition metal complex of the 1,2-bis(tetrazol-5-yl)ethene ligand. The complex molecule occupies a special position on an inversion centre and the Mn atom has a tetragonally distorted octahedral coordination. The bis(tetrazolyl)ethene ligand is planar within 0.0366 (7) Å. All `active' H atoms participate in hydrogen bonds, which link molecules of the complex and the uncoordinated water molecules into an infinite three-dimensional framework. text/html Tetraaquabis{5-[2-(1H-tetrazol-5-yl)ethenyl]pyrazolato-κN2}manganese(II) dihydrate text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m772 m772 http://scripts.iucr.org/cgi-bin/paper?br2071 In the neutral title compound, [Re(C6H5NO)(C13H9NO2)(CH3O)(C18H15P)], an 18-valence-electron complex, the ReV ion lies in an octahedral coordination geometry with the tridentate dianionic Schiff base 2-(2-oxidobenzylideneamino)phenolate ligand occupying three equatorial coordination sites, and with the triphenylphosphine ligand situated trans to the imine N atom. The ReV coordination is completed with a methanolate ligand and a 2-hydroxyphenylimido(2-) ligand. There are two molecules in the asymmetric unit. The crystal structure involves O—H...O and C—H...O hydrogen bonds. One N and one C atom are disordered over two positions; the site occupancy factors are ca 0.7 and 0.3. urn:issn:1600-5368 Holland, J.P. Barnard, P.J. Dilworth, J.R. Watkin, D.J. 2008-05-03 doi:10.1107/S1600536808010684 International Union of Crystallography In the neutral title compound, [Re(C6H5NO)(C13H9NO2)(CH3O)(C18H15P)], an 18-valence-electron complex, the ReV ion lies in an octahedral coordination geometry with the tridentate dianionic Schiff base 2-(2-oxidobenzylideneamino)phenolate ligand occupying three equatorial coordination sites, and with the triphenylphosphine ligand situated trans to the imine N atom. The ReV coordination is completed with a methanolate ligand and a 2-hydroxyphenylimido(2-) ligand. There are two molecules in the asymmetric unit. The crystal structure involves O—H...O and C—H...O hydrogen bonds. One N and one C atom are disordered over two positions; the site occupancy factors are ca 0.7 and 0.3. en In the neutral title compound, [Re(C6H5NO)(C13H9NO2)(CH3O)(C18H15P)], an 18-valence-electron complex, the ReV ion lies in an octahedral coordination geometry with the tridentate dianionic Schiff base 2-(2-oxidobenzylideneamino)phenolate ligand occupying three equatorial coordination sites, and with the triphenylphosphine ligand situated trans to the imine N atom. The ReV coordination is completed with a methanolate ligand and a 2-hydroxyphenylimido(2-) ligand. There are two molecules in the asymmetric unit. The crystal structure involves O—H...O and C—H...O hydrogen bonds. One N and one C atom are disordered over two positions; the site occupancy factors are ca 0.7 and 0.3. text/html (2-Hydroxyphenylimido-κN)(methanolato-κO)[2-(2-oxidobenzylideneamino)phenolato-κ2O,N,O′](triphenylphosphine-κP)rhenium(V) text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m773 m773 http://scripts.iucr.org/cgi-bin/paper?rk2087 The complex molecule of the title compound, [Mn3(C7H5O2)6(C10H8N2)2]·H2O, contains a linear array of divalent manganese ions. The central MnII atom, which is located on a crystallographic inversion center, is coordinated octahedrally by six benzoate O atoms. The two terminal MnII ions are six-coordinated by four benzoate O atoms and two N atoms of 2,2′-bipyridyl. The central MnII atom and the terminal MnII ions are bridged by four benzoate ligands in a bidentate fashion, whereas the other two carboxylate ligands form bridges through one O atom only and chelate the terminal MnII atom. The molecules pack together via van der Waals attractions and C—H...O hydrogen bonds. urn:issn:1600-5368 Yao, H.-C. Wang, N. Zhang, L. Li, Z.-J. 2008-05-03 doi:10.1107/S1600536808012518 International Union of Crystallography The complex molecule of the title compound, [Mn3(C7H5O2)6(C10H8N2)2]·H2O, contains a linear array of divalent manganese ions. The central MnII atom, which is located on a crystallographic inversion center, is coordinated octahedrally by six benzoate O atoms. The two terminal MnII ions are six-coordinated by four benzoate O atoms and two N atoms of 2,2′-bipyridyl. The central MnII atom and the terminal MnII ions are bridged by four benzoate ligands in a bidentate fashion, whereas the other two carboxylate ligands form bridges through one O atom only and chelate the terminal MnII atom. The molecules pack together via van der Waals attractions and C—H...O hydrogen bonds. en The complex molecule of the title compound, [Mn3(C7H5O2)6(C10H8N2)2]·H2O, contains a linear array of divalent manganese ions. The central MnII atom, which is located on a crystallographic inversion center, is coordinated octahedrally by six benzoate O atoms. The two terminal MnII ions are six-coordinated by four benzoate O atoms and two N atoms of 2,2′-bipyridyl. The central MnII atom and the terminal MnII ions are bridged by four benzoate ligands in a bidentate fashion, whereas the other two carboxylate ligands form bridges through one O atom only and chelate the terminal MnII atom. The molecules pack together via van der Waals attractions and C—H...O hydrogen bonds. text/html Hexa-μ2-benzoato-bis(2,2′-bipyridyl)trimanganese(II) monohydrate text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m774 m774 http://scripts.iucr.org/cgi-bin/paper?hy2124 The title compound, [V(C16H14N2O2)O], was synthesized by the reaction of vanadyl(IV) sulfate and N,N′-bis(salicylidene)ethylenediamine under hydrothermal conditions. The asymmetric unit contains two molecules. Each VIV atom is coordinated in a square-pyramidal geometry by two N atoms and two O atoms from a ligand in the basal plane and by an oxide O atom in the apical position. Weak C—H...O hydrogen bonds lead to a three-dimensional supramolecular structure. urn:issn:1600-5368 Wang, C. Yuan, J.-H. Xie, G. Yu, M.-J. Li, J. 2008-05-07 doi:10.1107/S1600536808010611 International Union of Crystallography The title compound, [V(C16H14N2O2)O], was synthesized by the reaction of vanadyl(IV) sulfate and N,N′-bis(salicylidene)ethylenediamine under hydrothermal conditions. The asymmetric unit contains two molecules. Each VIV atom is coordinated in a square-pyramidal geometry by two N atoms and two O atoms from a ligand in the basal plane and by an oxide O atom in the apical position. Weak C—H...O hydrogen bonds lead to a three-dimensional supramolecular structure. en The title compound, [V(C16H14N2O2)O], was synthesized by the reaction of vanadyl(IV) sulfate and N,N′-bis(salicylidene)ethylenediamine under hydrothermal conditions. The asymmetric unit contains two molecules. Each VIV atom is coordinated in a square-pyramidal geometry by two N atoms and two O atoms from a ligand in the basal plane and by an oxide O atom in the apical position. Weak C—H...O hydrogen bonds lead to a three-dimensional supramolecular structure. text/html {2,2′-[Ethylenebis(nitrilomethylidyne)]diphenolato-κ4O,N,N′,O′}oxidovanadium(IV) text 6 64 2008-05-07 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m775 m776 http://scripts.iucr.org/cgi-bin/paper?zl2105 The structure of the title compound, (C10H10N3)2[ZnCl4], is composed of C10H9N3H+ (DPAH+) cations and [ZnCl4]2− anions. The two pyridyl rings of DPAH+ are approximately coplanar, with a dihedral angle of 7.2 (2)° between their corresponding least-squares planes. The proton is disordered in a one-to-one ratio over the two chemically equivalent pyridyl N atoms. An intramolecular hydrogen bond is formed between the pyridinium H atom and the pyridyl N atom of the other pyridyl ring. The Zn atom lies on a twofold rotation axis. There are also some weak N—H...Cl hydrogen bonds. These interactions lead to the formation of an alternating zigzag chain in the solid state. The results clearly show that reducing agents normally used in hydrothermal syntheses, such as metallic zinc employed here, are also active in terms of coordination chemistry. urn:issn:1600-5368 Venegas-Yazigi, D. Castillo, C. Paredes-García, V. Vega, A. Spodine, E. 2008-05-07 doi:10.1107/S1600536808007745 International Union of Crystallography The structure of the title compound, (C10H10N3)2[ZnCl4], is composed of C10H9N3H+ (DPAH+) cations and [ZnCl4]2− anions. The two pyridyl rings of DPAH+ are approximately coplanar, with a dihedral angle of 7.2 (2)° between their corresponding least-squares planes. The proton is disordered in a one-to-one ratio over the two chemically equivalent pyridyl N atoms. An intramolecular hydrogen bond is formed between the pyridinium H atom and the pyridyl N atom of the other pyridyl ring. The Zn atom lies on a twofold rotation axis. There are also some weak N—H...Cl hydrogen bonds. These interactions lead to the formation of an alternating zigzag chain in the solid state. The results clearly show that reducing agents normally used in hydrothermal syntheses, such as metallic zinc employed here, are also active in terms of coordination chemistry. en The structure of the title compound, (C10H10N3)2[ZnCl4], is composed of C10H9N3H+ (DPAH+) cations and [ZnCl4]2− anions. The two pyridyl rings of DPAH+ are approximately coplanar, with a dihedral angle of 7.2 (2)° between their corresponding least-squares planes. The proton is disordered in a one-to-one ratio over the two chemically equivalent pyridyl N atoms. An intramolecular hydrogen bond is formed between the pyridinium H atom and the pyridyl N atom of the other pyridyl ring. The Zn atom lies on a twofold rotation axis. There are also some weak N—H...Cl hydrogen bonds. These interactions lead to the formation of an alternating zigzag chain in the solid state. The results clearly show that reducing agents normally used in hydrothermal syntheses, such as metallic zinc employed here, are also active in terms of coordination chemistry. text/html 2-(2-Pyridylamino)pyridinium tetrachloridozincate(II) text 6 64 2008-05-07 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m777 m778 http://scripts.iucr.org/cgi-bin/paper?hy2121 The title compound, [Ag(C8H5O4)(C6H5NO2)]n, contains one AgI atom, one phthalate ligand and one isonicotinic acid molecule in the asymmetric unit. Each Ag atom is three-coordinated in a T-shaped geometry by two O atoms and one N atom from one phthalate ligand and two isonicotinic acid ligands. The isonicotinic acid ligand bridges two Ag atoms, forming a one-dimensional chain. Adjacent chains are linked by Ag—Ag interactions, leading to a double-chain. These double-chains are further linked via hydrogen bonds into a two-dimensional layer. urn:issn:1600-5368 Li, X.-F. An, Y. Yin, Y.-S. 2008-05-07 doi:10.1107/S1600536808009586 International Union of Crystallography The title compound, [Ag(C8H5O4)(C6H5NO2)]n, contains one AgI atom, one phthalate ligand and one isonicotinic acid molecule in the asymmetric unit. Each Ag atom is three-coordinated in a T-shaped geometry by two O atoms and one N atom from one phthalate ligand and two isonicotinic acid ligands. The isonicotinic acid ligand bridges two Ag atoms, forming a one-dimensional chain. Adjacent chains are linked by Ag—Ag interactions, leading to a double-chain. These double-chains are further linked via hydrogen bonds into a two-dimensional layer. en The title compound, [Ag(C8H5O4)(C6H5NO2)]n, contains one AgI atom, one phthalate ligand and one isonicotinic acid molecule in the asymmetric unit. Each Ag atom is three-coordinated in a T-shaped geometry by two O atoms and one N atom from one phthalate ligand and two isonicotinic acid ligands. The isonicotinic acid ligand bridges two Ag atoms, forming a one-dimensional chain. Adjacent chains are linked by Ag—Ag interactions, leading to a double-chain. These double-chains are further linked via hydrogen bonds into a two-dimensional layer. text/html catena-Poly[[bis[(2-carboxybenzoato-κO)silver(I)](Ag—Ag)]bis(μ-isonicotinic acid-κ2N:O)] text 6 64 2008-05-07 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m779 m779 http://scripts.iucr.org/cgi-bin/paper?dn2343 The title compound, [WMoBr(C5H5)(CO)3], is built up from a pseudo-square-pyramidal piano-stool coordination around the Mo atom, the important geometry being Mo—W = 2.6872 (7) Å, W—Br = 2.5591 (9) Å and Mo—W—Br = 158.35 (3)°. urn:issn:1600-5368 Onani, M.O. Gertenbach, J.-A. Bala, M.D. 2008-05-07 doi:10.1107/S1600536808012828 International Union of Crystallography The title compound, [WMoBr(C5H5)(CO)3], is built up from a pseudo-square-pyramidal piano-stool coordination around the Mo atom, the important geometry being Mo—W = 2.6872 (7) Å, W—Br = 2.5591 (9) Å and Mo—W—Br = 158.35 (3)°. en The title compound, [WMoBr(C5H5)(CO)3], is built up from a pseudo-square-pyramidal piano-stool coordination around the Mo atom, the important geometry being Mo—W = 2.6872 (7) Å, W—Br = 2.5591 (9) Å and Mo—W—Br = 158.35 (3)°. text/html Bromido-1κBr-tricarbonyl-2κ3C-(2η5-cyclopentadienyl)molybdenum(I)tungsten(I)(W—Mo) text 6 64 2008-05-07 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m780 m780 http://scripts.iucr.org/cgi-bin/paper?bt2704 In the title compound, [Mn3(C8H10O4)3(C18H10N4)2], one Mn atom and one cyclohexane-1,4-dicarboxylate (chdc) ligand are located on centres of inversion. One of the two independent Mn atoms is seven-coordinate, binding to five carboxylate O atoms from different chdc ligands and two phenanthrene N atoms from a dipyrido[3,2-a:2′,3′-c]phenazine (L) ligand, while the second Mn atom is six-coordinate, binding to six carboxylate O atoms from different chdc ligands. The cis-chdc ligands bridge the trinuclear MnII clusters, forming chains, which are further linked into a three-dimensional network. urn:issn:1600-5368 Zhang, W.-Z. Yuan, X.-H. 2008-05-07 doi:10.1107/S1600536808012737 International Union of Crystallography In the title compound, [Mn3(C8H10O4)3(C18H10N4)2], one Mn atom and one cyclohexane-1,4-dicarboxylate (chdc) ligand are located on centres of inversion. One of the two independent Mn atoms is seven-coordinate, binding to five carboxylate O atoms from different chdc ligands and two phenanthrene N atoms from a dipyrido[3,2-a:2′,3′-c]phenazine (L) ligand, while the second Mn atom is six-coordinate, binding to six carboxylate O atoms from different chdc ligands. The cis-chdc ligands bridge the trinuclear MnII clusters, forming chains, which are further linked into a three-dimensional network. en In the title compound, [Mn3(C8H10O4)3(C18H10N4)2], one Mn atom and one cyclohexane-1,4-dicarboxylate (chdc) ligand are located on centres of inversion. One of the two independent Mn atoms is seven-coordinate, binding to five carboxylate O atoms from different chdc ligands and two phenanthrene N atoms from a dipyrido[3,2-a:2′,3′-c]phenazine (L) ligand, while the second Mn atom is six-coordinate, binding to six carboxylate O atoms from different chdc ligands. The cis-chdc ligands bridge the trinuclear MnII clusters, forming chains, which are further linked into a three-dimensional network. text/html Poly[di-μ-cis-cyclohexane-1,4-dicarboxylato-μ-trans-cyclohexane-1,4-dicarboxylato-bis[dipyrido[3,2-a:2′,3′-c]phenazine]trimanganese(II)] text 6 64 2008-05-07 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m781 m782 http://scripts.iucr.org/cgi-bin/paper?cf2192 In the title compound, [Mn2Ni(C17H14Br2N2O2)2(CN)4(H2O)2] or [{Mn(C17H14Br2N2O2)(H2O)}2(μ-CN)2{Ni(CN)2}], each MnIII atom is chelated by a Schiff base ligand via two N and two O atoms and is additionally coordinated by a water molecule to give a slightly distorted octahedral geometry. Two such MnIII ions are linked by a square-planar Ni(CN)4 unit, which lies on an inversion centre. A two-dimensional network is formed by O—H...O and O—H...N hydrogen bonds. urn:issn:1600-5368 Sun, Z.-H. Yang, G.-B. Meng, L.-B. Chen, S. 2008-05-07 doi:10.1107/S1600536808012749 International Union of Crystallography In the title compound, [Mn2Ni(C17H14Br2N2O2)2(CN)4(H2O)2] or [{Mn(C17H14Br2N2O2)(H2O)}2(μ-CN)2{Ni(CN)2}], each MnIII atom is chelated by a Schiff base ligand via two N and two O atoms and is additionally coordinated by a water molecule to give a slightly distorted octahedral geometry. Two such MnIII ions are linked by a square-planar Ni(CN)4 unit, which lies on an inversion centre. A two-dimensional network is formed by O—H...O and O—H...N hydrogen bonds. en In the title compound, [Mn2Ni(C17H14Br2N2O2)2(CN)4(H2O)2] or [{Mn(C17H14Br2N2O2)(H2O)}2(μ-CN)2{Ni(CN)2}], each MnIII atom is chelated by a Schiff base ligand via two N and two O atoms and is additionally coordinated by a water molecule to give a slightly distorted octahedral geometry. Two such MnIII ions are linked by a square-planar Ni(CN)4 unit, which lies on an inversion centre. A two-dimensional network is formed by O—H...O and O—H...N hydrogen bonds. text/html Diaqua-1κO,3κO-di-μ-cyanido-1:2κ2N:C;2:3κ2C:N-dicyanido-2κ2N-bis{4,4′-dibromo-2,2′-[propane-1,2-diylbis(nitrilomethylidyne)]diphenolato}-1κ4O,N,N′,O′;3κ4O,N,N′,O′-1,3-dimanganese(III)-2-nickel(II) text 6 64 2008-05-07 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m783 m783 http://scripts.iucr.org/cgi-bin/paper?bv2096 In the crystal structure of the title complex, [Cd(N3)2(C11H11N31)2]n, there are two crystallographically independent CdII atoms. Both exist in an octahedral environment composed of four N atoms of the N3− groups and two N atoms from two monodentate 1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one ligands that are positioned trans to each other. Adjacent CdII centres in the crystal structure are bridged by a pair of N3− anions in a μ-1,3-fashion, forming an infinite one-dimensional array. urn:issn:1600-5368 Guo, Y. Cai, H. Li, J. Wan, G. 2008-05-07 doi:10.1107/S1600536808012609 International Union of Crystallography In the crystal structure of the title complex, [Cd(N3)2(C11H11N31)2]n, there are two crystallographically independent CdII atoms. Both exist in an octahedral environment composed of four N atoms of the N3− groups and two N atoms from two monodentate 1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one ligands that are positioned trans to each other. Adjacent CdII centres in the crystal structure are bridged by a pair of N3− anions in a μ-1,3-fashion, forming an infinite one-dimensional array. en In the crystal structure of the title complex, [Cd(N3)2(C11H11N31)2]n, there are two crystallographically independent CdII atoms. Both exist in an octahedral environment composed of four N atoms of the N3− groups and two N atoms from two monodentate 1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one ligands that are positioned trans to each other. Adjacent CdII centres in the crystal structure are bridged by a pair of N3− anions in a μ-1,3-fashion, forming an infinite one-dimensional array. text/html catena-Poly[[bis[1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one-κN4]cadmium(II)]-di-μ-azido-κ4N1:N3] text 6 64 2008-05-07 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m784 m784 http://scripts.iucr.org/cgi-bin/paper?lh2619 In the title complex, {[Ag2(CF3O3S)2(C30H20N6)]·C6H6}n, the two independent AgI ions are each coordinated by two N atoms and one O atom in a `T-shaped' geometry. In the crystal structure, 1,2-bis[(3-cyanobenzylidene)hydrazono]-1,2-diphenylethane ligands act as bridging ligands and each coordinates to four AgI ions, resulting in a one-dimensional chain structure. The crystal structure is stabilized by weak intermolecular C—H...O hydrogen bonds. urn:issn:1600-5368 Li, H.L. 2008-05-07 doi:10.1107/S1600536808012853 International Union of Crystallography In the title complex, {[Ag2(CF3O3S)2(C30H20N6)]·C6H6}n, the two independent AgI ions are each coordinated by two N atoms and one O atom in a `T-shaped' geometry. In the crystal structure, 1,2-bis[(3-cyanobenzylidene)hydrazono]-1,2-diphenylethane ligands act as bridging ligands and each coordinates to four AgI ions, resulting in a one-dimensional chain structure. The crystal structure is stabilized by weak intermolecular C—H...O hydrogen bonds. en In the title complex, {[Ag2(CF3O3S)2(C30H20N6)]·C6H6}n, the two independent AgI ions are each coordinated by two N atoms and one O atom in a `T-shaped' geometry. In the crystal structure, 1,2-bis[(3-cyanobenzylidene)hydrazono]-1,2-diphenylethane ligands act as bridging ligands and each coordinates to four AgI ions, resulting in a one-dimensional chain structure. The crystal structure is stabilized by weak intermolecular C—H...O hydrogen bonds. text/html Poly[[{μ4-1,2-bis[(3-cyanobenzylidene)hydrazono]-1,2-diphenylethane}bis(trifluoromethanesulfonato)disilver(I)] benzene solvate] text 6 64 2008-05-07 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m785 m785 http://scripts.iucr.org/cgi-bin/paper?nc2100 In the title complex, [CoCl2(C21H19N3)], the CoII atom is coordinated by one pyridine and two imine N atoms and by two chloride anions in a distorted trigonal bipyramidal geometry. The structure exhibits a pseudo-mirror plane through the metal atom, two chloride anions and the pyridine ring. In the crystal structure, the complexes are connected via intermolecular C—H...Cl hydrogen bonding. urn:issn:1600-5368 Li, X.-G. Zhong, D.-C. He, R. Guo, H.-R. 2008-05-07 doi:10.1107/S1600536808013007 International Union of Crystallography In the title complex, [CoCl2(C21H19N3)], the CoII atom is coordinated by one pyridine and two imine N atoms and by two chloride anions in a distorted trigonal bipyramidal geometry. The structure exhibits a pseudo-mirror plane through the metal atom, two chloride anions and the pyridine ring. In the crystal structure, the complexes are connected via intermolecular C—H...Cl hydrogen bonding. en In the title complex, [CoCl2(C21H19N3)], the CoII atom is coordinated by one pyridine and two imine N atoms and by two chloride anions in a distorted trigonal bipyramidal geometry. The structure exhibits a pseudo-mirror plane through the metal atom, two chloride anions and the pyridine ring. In the crystal structure, the complexes are connected via intermolecular C—H...Cl hydrogen bonding. text/html {2,6-Bis[1-(phenylimino)ethyl]pyridine-κ3N,N′,N′′}dichloridocobalt(II) text 6 64 2008-05-07 Acta Crystallographica Section E: Structure Reports Online metal-organic compounds m786 m786 http://scripts.iucr.org/cgi-bin/paper?om2232 The conformations of the N—H and C=O bonds in the structure of the title compound, C13H9Cl2NO, are anti to each other, similar to that observed in N-phenylbenzamide, N-(2-chlorophenyl)benzamide, N-(4-chlorophenyl)benzamide, N-(2,3-dichlorophenyl)benzamide, N-(2,6-dichlorophenyl)benzamide and other benzanilides. The amide –NHCO– group forms a dihedral angle of 33.0 (2)° with the benzoyl ring, while the rings are almost coplanar, making a dihedral angle of 2.6 (2)°). The molecules are linked by N—H...O hydrogen bonds into infinite chains running along the b axis. urn:issn:1600-5368 Gowda, B.T. Tokarčík, M. Kožíšek, J. Sowmya, B.P. Fuess, H. 2008-05-03 doi:10.1107/S1600536808012385 International Union of Crystallography The conformations of the N—H and C=O bonds in the structure of the title compound, C13H9Cl2NO, are anti to each other, similar to that observed in N-phenylbenzamide, N-(2-chlorophenyl)benzamide, N-(4-chlorophenyl)benzamide, N-(2,3-dichlorophenyl)benzamide, N-(2,6-dichlorophenyl)benzamide and other benzanilides. The amide –NHCO– group forms a dihedral angle of 33.0 (2)° with the benzoyl ring, while the rings are almost coplanar, making a dihedral angle of 2.6 (2)°). The molecules are linked by N—H...O hydrogen bonds into infinite chains running along the b axis. en The conformations of the N—H and C=O bonds in the structure of the title compound, C13H9Cl2NO, are anti to each other, similar to that observed in N-phenylbenzamide, N-(2-chlorophenyl)benzamide, N-(4-chlorophenyl)benzamide, N-(2,3-dichlorophenyl)benzamide, N-(2,6-dichlorophenyl)benzamide and other benzanilides. The amide –NHCO– group forms a dihedral angle of 33.0 (2)° with the benzoyl ring, while the rings are almost coplanar, making a dihedral angle of 2.6 (2)°). The molecules are linked by N—H...O hydrogen bonds into infinite chains running along the b axis. text/html N-(2,4-Dichlorophenyl)benzamide text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online organic compounds o950 o950 http://scripts.iucr.org/cgi-bin/paper?si2086 In the axially chiral title compound, C14H9N5O12, the dihedral angle between the two benzene rings is 86.0 (8)°. In the crystal structure, the molecules display a two-dimensional framework formed by weak intermolecular C—H...O hydrogen bonds. urn:issn:1600-5368 Jiang, Y.-Y. Miao, S.-B. Deng, D.-S. Ji, B.-M. 2008-05-03 doi:10.1107/S1600536808011926 International Union of Crystallography In the axially chiral title compound, C14H9N5O12, the dihedral angle between the two benzene rings is 86.0 (8)°. In the crystal structure, the molecules display a two-dimensional framework formed by weak intermolecular C—H...O hydrogen bonds. en In the axially chiral title compound, C14H9N5O12, the dihedral angle between the two benzene rings is 86.0 (8)°. In the crystal structure, the molecules display a two-dimensional framework formed by weak intermolecular C—H...O hydrogen bonds. text/html 6,6′-Dimethoxy-2,2′,3,3′,5-pentanitro-1,1′-biphenyl text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online organic compounds o951 o951 http://scripts.iucr.org/cgi-bin/paper?rz2207 In the asymmetric unit of the title compound, C13H11N3OS·0.5H2O, there are two independent molecules of 4-benzyl-3-(2-furyl)-1H-1,2,4-triazole-5(4H)-thione and a water molecule of hydration. The conformation of the two organic molecules is slightly different, the dihedral angles formed by the furyl and triazole rings being 5.63 (15) and 17.66 (13)°. The water molecule of hydration links three adjacent triazole molecules to form a cluster via intermolecular O—H...S, N—H...S and N—H...O hydrogen bonds, generating a 10-membered ring of graph set R33(10). The crystal structure is further stabilized by intra- and intermolecular C—H...S, C—H...O and C—H...N hydrogen bonds and by π–π stacking interactions involving the furyl and triazole rings of centrosymmetrically related molecules, with a centroid–centroid separation of 3.470 (2) Å. urn:issn:1600-5368 Zareef, M. Iqbal, R. Parvez, M. 2008-05-03 doi:10.1107/S1600536808012361 International Union of Crystallography In the asymmetric unit of the title compound, C13H11N3OS·0.5H2O, there are two independent molecules of 4-benzyl-3-(2-furyl)-1H-1,2,4-triazole-5(4H)-thione and a water molecule of hydration. The conformation of the two organic molecules is slightly different, the dihedral angles formed by the furyl and triazole rings being 5.63 (15) and 17.66 (13)°. The water molecule of hydration links three adjacent triazole molecules to form a cluster via intermolecular O—H...S, N—H...S and N—H...O hydrogen bonds, generating a 10-membered ring of graph set R33(10). The crystal structure is further stabilized by intra- and intermolecular C—H...S, C—H...O and C—H...N hydrogen bonds and by π–π stacking interactions involving the furyl and triazole rings of centrosymmetrically related molecules, with a centroid–centroid separation of 3.470 (2) Å. en In the asymmetric unit of the title compound, C13H11N3OS·0.5H2O, there are two independent molecules of 4-benzyl-3-(2-furyl)-1H-1,2,4-triazole-5(4H)-thione and a water molecule of hydration. The conformation of the two organic molecules is slightly different, the dihedral angles formed by the furyl and triazole rings being 5.63 (15) and 17.66 (13)°. The water molecule of hydration links three adjacent triazole molecules to form a cluster via intermolecular O—H...S, N—H...S and N—H...O hydrogen bonds, generating a 10-membered ring of graph set R33(10). The crystal structure is further stabilized by intra- and intermolecular C—H...S, C—H...O and C—H...N hydrogen bonds and by π–π stacking interactions involving the furyl and triazole rings of centrosymmetrically related molecules, with a centroid–centroid separation of 3.470 (2) Å. text/html 4-Benzyl-3-(2-furyl)-1H-1,2,4-triazole-5(4H)-thione hemihydrate text 6 64 2008-05-03 Acta Crystallographica Section E: Structure Reports Online organic compounds o952 o953