Open access article in Acta Crystallographica Section E: Structure Reports http://journals.iucr.org/e/journalhomepage.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-gb http://creativecommons.org/licenses/by/2.0/uk 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 Open access article in Acta Crystallographica Section E Structure Reports text monthly 1 2002-01-01T00:00+00:00 med@iucr.org Acta Crystallographica Section E Structure Reports urn:issn:1600-5368 Open access article in Acta Crystallographica Section E: Structure Reports http://journals.iucr.org/logos/rss10e.gif http://journals.iucr.org/e/journalhomepage.html Still image 2-(3-Pyridinio)benzimidazolium penta­chloridobismuthate(III) monohydrate http://scripts.iucr.org/cgi-bin/paper?hk2717 In the title compound, (C12H11N3)[BiCl5]·H2O, the BiIII atom is coordinated by five chloride anions in a distorted square-pyramidal geometry. The planar imidazole ring system [maximum deviation = 0.012 (3) Å] is oriented at a dihedral angle of 6.08 (5)° with respect to the protonated pyridine ring. An O—H⋯Cl inter­action links the water mol­ecule to the dianion. In the crystal structure, inter­molecular O—H⋯Cl, N—H⋯O and N—H⋯Cl inter­actions link the mol­ecules into a three-dimensional network. http://creativecommons.org/licenses/by/2.0/uk urn:issn:1600-5368 Cui, L.-J. Xu, H.-J. Pang, Y.-J. 2009-08-01 doi:10.1107/S1600536809024568 International Union of Crystallography en In the title compound, (C12H11N3)[BiCl5]·H2O, the BiIII atom is coordinated by five chloride anions in a distorted square-pyramidal geometry. The planar imidazole ring system [maximum deviation = 0.012 (3) Å] is oriented at a dihedral angle of 6.08 (5)° with respect to the protonated pyridine ring. An O—H⋯Cl inter­action links the water mol­ecule to the dianion. In the crystal structure, inter­molecular O—H⋯Cl, N—H⋯O and N—H⋯Cl inter­actions link the mol­ecules into a three-dimensional network. text/html 2-(3-Pyridinio)benzimidazolium penta­chloridobismuthate(III) monohydrate text 8 65 2009-08-01 Acta Crystallographica Section E: Structure Reports Online 1600-5368 metal-organic compounds 852 med@iucr.org 852 1600-5368 3-Hydr­oxy-3-[(2-methyl­propano­yl)meth­yl]indolin-2-one http://scripts.iucr.org/cgi-bin/paper?ww2134 The title compound, C13H15NO3, was synthesized by the Aldol reaction of isatin and 3-methyl­butan-2-one refluxing in methanol catalyzed by dimethyl­amine. The packing of the mol­ecules in the crystal structure features inter­molecular N—H⋯O and O—H⋯O hydrogen bonds. http://creativecommons.org/licenses/by/2.0/uk urn:issn:1600-5368 Chen, G. Liu, B. Tang, Y. Xu, J. 2009-08-01 doi:10.1107/S1600536809024611 International Union of Crystallography en The title compound, C13H15NO3, was synthesized by the Aldol reaction of isatin and 3-methyl­butan-2-one refluxing in methanol catalyzed by dimethyl­amine. The packing of the mol­ecules in the crystal structure features inter­molecular N—H⋯O and O—H⋯O hydrogen bonds. text/html 3-Hydr­oxy-3-[(2-methyl­propano­yl)meth­yl]indolin-2-one text 8 65 2009-08-01 Acta Crystallographica Section E: Structure Reports Online 1600-5368 organic compounds 1723 med@iucr.org 1723 1600-5368 (2E,2′E)-1,1′-Bis(2,5-dimethyl-3-thien­yl)-3,3′-(p-phenyl­ene)diprop-2-en-1-one http://scripts.iucr.org/cgi-bin/paper?tk2486 In the title bis-chalcone, C24H22O2S2, the –C(O)CH=CH–C6H4–CH=CHC(O)– portion is planar (r.m.s. deviation = 0.04 Å); one thienyl ring is aligned at 8.8 (1)° with respect to this fragment, whereas the other is aligned at 21.3 (1)°. http://creativecommons.org/licenses/by/2.0/uk urn:issn:1600-5368 Asiri, A.M. Khan, S.A. Ng, S.W. 2009-08-01 doi:10.1107/S1600536809024581 International Union of Crystallography en In the title bis-chalcone, C24H22O2S2, the –C(O)CH=CH–C6H4–CH=CHC(O)– portion is planar (r.m.s. deviation = 0.04 Å); one thienyl ring is aligned at 8.8 (1)° with respect to this fragment, whereas the other is aligned at 21.3 (1)°. text/html (2E,2′E)-1,1′-Bis(2,5-dimethyl-3-thien­yl)-3,3′-(p-phenyl­ene)diprop-2-en-1-one text 8 65 2009-08-01 Acta Crystallographica Section E: Structure Reports Online 1600-5368 organic compounds 1726 med@iucr.org 1726 1600-5368 2-[2-Benzoyl-3,3-bis­(methyl­sulfan­yl)prop-2-enyl­idene]malononitrile http://scripts.iucr.org/cgi-bin/paper?ci2822 The title compound, C15H12N2OS2, is an example of a push–pull butadiene in which the electron-releasing methyl­sulfanyl groups and electron-withdrawing nitrile groups on either end of the butadiene chain enhance the conjugation in the system. Short intra­molecular C—H⋯S inter­actions are observed. In the crystal structure, an O⋯C short contact of 2.917 (3) Å is observed. http://creativecommons.org/licenses/by/2.0/uk urn:issn:1600-5368 Nirmala, J. Unnikrishnan, N.V. Anabha, E.R. Sudarsanakumar, C. 2009-08-01 doi:10.1107/S1600536809024635 International Union of Crystallography en The title compound, C15H12N2OS2, is an example of a push–pull butadiene in which the electron-releasing methyl­sulfanyl groups and electron-withdrawing nitrile groups on either end of the butadiene chain enhance the conjugation in the system. Short intra­molecular C—H⋯S inter­actions are observed. In the crystal structure, an O⋯C short contact of 2.917 (3) Å is observed. text/html 2-[2-Benzoyl-3,3-bis­(methyl­sulfan­yl)prop-2-enyl­idene]malononitrile text 8 65 2009-08-01 Acta Crystallographica Section E: Structure Reports Online 1600-5368 organic compounds 1727 med@iucr.org 1727 1600-5368 N,N′-Bis(4-pyridylmethyl­ene)octane-1,8-diamine http://scripts.iucr.org/cgi-bin/paper?ci2836 The complete molecule of the title compound, C20H26N4, is generated by a crystallographic centre of inversion and the central eight-carbon chain adopts a fully extended conformation. In the crystal, the molecules pack in layers parallel to (010). http://creativecommons.org/licenses/by/2.0/uk urn:issn:1600-5368 Patra, G.K. Mukherjee, A. Mitra, P. Ng, S.W. 2009-08-01 doi:10.1107/S1600536809024623 International Union of Crystallography en The complete molecule of the title compound, C20H26N4, is generated by a crystallographic centre of inversion and the central eight-carbon chain adopts a fully extended conformation. In the crystal, the molecules pack in layers parallel to (010). text/html N,N′-Bis(4-pyridylmethyl­ene)octane-1,8-diamine text 8 65 2009-08-01 Acta Crystallographica Section E: Structure Reports Online 1600-5368 organic compounds 1728 med@iucr.org 1728 1600-5368 Ethyl 4-(4-cyano­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate http://scripts.iucr.org/cgi-bin/paper?rz2341 The asymmetric unit of the title compound, C15H15N3O2S, contains two independent mol­ecules corresponding to the R and S enanti­omers. The dihydro­pyrimidinone rings adopt a flattened boat conformation. One of the ethyl groups is disordered over two orientations with occupancy factors of 0.700 (7) and 0.300 (7). In the crystal structure, mol­ecules are linked by inter­molecular N—H⋯O hydrogen-bonding inter­actions into one-dimensional chains along the c-axis direction. The chains are further connected by N—H⋯S hydrogen bonds, forming a three-dimensional network. http://creativecommons.org/licenses/by/2.0/uk urn:issn:1600-5368 Wu, D.-H. Zhang, Y.-H. Li, Z.-F. 2009-08-01 doi:10.1107/S1600536809024520 International Union of Crystallography en The asymmetric unit of the title compound, C15H15N3O2S, contains two independent mol­ecules corresponding to the R and S enanti­omers. The dihydro­pyrimidinone rings adopt a flattened boat conformation. One of the ethyl groups is disordered over two orientations with occupancy factors of 0.700 (7) and 0.300 (7). In the crystal structure, mol­ecules are linked by inter­molecular N—H⋯O hydrogen-bonding inter­actions into one-dimensional chains along the c-axis direction. The chains are further connected by N—H⋯S hydrogen bonds, forming a three-dimensional network. text/html Ethyl 4-(4-cyano­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate text 8 65 2009-08-01 Acta Crystallographica Section E: Structure Reports Online 1600-5368 organic compounds 1733 med@iucr.org 1733 1600-5368 1-(2-Chloro-5-nitro­phen­yl)-3-(2,2-di­methyl­propion­yl)thio­urea http://scripts.iucr.org/cgi-bin/paper?lh2851 With the exception of the C atoms of two of the methyl groups of the tert-butyl substituent, all of the non-H atoms of the title compound, C12H14ClN3O3S, lie on a mirror plane. The 2-chloro-5-nitro­phenyl and 2,2-dimethyl­propionyl substituents are, respectively, cis and trans relative to the thio­carbonyl S atom across the two C—N bonds. Intra­molecular N—H⋯O and C—H⋯S hydrogen bonds form S(6) ring motifs, also in the mirror plane. Despite the presence of two N—H subsituents, no inter­molecular hydrogen bonds are observed in the crystal structure. Weak π–π contacts [centroid–centroid distances of 4.2903 (17) Å] involving adjacent aromatic rings link the mol­ecules in a head-to-tail fashion above and below the mol­ecular plane. http://creativecommons.org/licenses/by/2.0/uk urn:issn:1600-5368 Saeed, A. Khera, R.A. Simpson, J. Stanley, R.G. 2009-08-01 doi:10.1107/S1600536809024672 International Union of Crystallography en With the exception of the C atoms of two of the methyl groups of the tert-butyl substituent, all of the non-H atoms of the title compound, C12H14ClN3O3S, lie on a mirror plane. The 2-chloro-5-nitro­phenyl and 2,2-dimethyl­propionyl substituents are, respectively, cis and trans relative to the thio­carbonyl S atom across the two C—N bonds. Intra­molecular N—H⋯O and C—H⋯S hydrogen bonds form S(6) ring motifs, also in the mirror plane. Despite the presence of two N—H subsituents, no inter­molecular hydrogen bonds are observed in the crystal structure. Weak π–π contacts [centroid–centroid distances of 4.2903 (17) Å] involving adjacent aromatic rings link the mol­ecules in a head-to-tail fashion above and below the mol­ecular plane. text/html 1-(2-Chloro-5-nitro­phen­yl)-3-(2,2-di­methyl­propion­yl)thio­urea text 8 65 2009-08-01 Acta Crystallographica Section E: Structure Reports Online 1600-5368 organic compounds 1735 med@iucr.org 1736 1600-5368 7-Benzene­sulfonamido-3-ethenyl-8-oxo-5-thia-1-aza­bicyclo­[4.2.0]oct-2-ene-2-carboxylic acid methanol solvate http://scripts.iucr.org/cgi-bin/paper?hb5002 In the title compound, C15H14N2O5S2·CH4O, the six-membered ring fused to the β-lactam unit adopts a twisted conformation. In the crystal structure, the component mol­ecules are linked into a three-dimensional framework through inter­molecular N—H⋯S, N—H⋯O and O—H⋯O hydrogen bonds and C—H⋯O contacts. http://creativecommons.org/licenses/by/2.0/uk urn:issn:1600-5368 Mariam, I. Akkurt, M. Sharif, S. Haider, S.K. Khan*, I.U. 2009-08-01 doi:10.1107/S1600536809024726 International Union of Crystallography en In the title compound, C15H14N2O5S2·CH4O, the six-membered ring fused to the β-lactam unit adopts a twisted conformation. In the crystal structure, the component mol­ecules are linked into a three-dimensional framework through inter­molecular N—H⋯S, N—H⋯O and O—H⋯O hydrogen bonds and C—H⋯O contacts. text/html 7-Benzene­sulfonamido-3-ethenyl-8-oxo-5-thia-1-aza­bicyclo­[4.2.0]oct-2-ene-2-carboxylic acid methanol solvate text 8 65 2009-08-01 Acta Crystallographica Section E: Structure Reports Online 1600-5368 organic compounds 1737 med@iucr.org 1737 1600-5368 Dichlorido(2,9-dieth­oxy-1,10-phenanthroline-κ2N,N′)zinc(II) http://scripts.iucr.org/cgi-bin/paper?lh2850 All non-H atoms except for the Cl atoms lie on a mirror plane in the title complex, [ZnCl2(C16H16N2O2)]. The ZnII ion is coordinated by two N atoms from a bis-chelating 2,9-dieth­oxy-1,10-phenanthroline ligand and two symmetry-related Cl atoms in a distorted tetra­hedral environment. The two Zn—N bond lengths are significantly different from each other and the N—Zn—N angle is acute. In the crystal structure, there are weak but significant π–π stacking inter­actions between phenanthroline rings, with a centroid–centroid distance of 3.764 (1) Å. http://creativecommons.org/licenses/by/2.0/uk urn:issn:1600-5368 Niu, C.-Y. Dang, Y.-L. Wan, X.-S. Kou, C.-H. 2009-08-01 doi:10.1107/S1600536809024490 International Union of Crystallography en All non-H atoms except for the Cl atoms lie on a mirror plane in the title complex, [ZnCl2(C16H16N2O2)]. The ZnII ion is coordinated by two N atoms from a bis-chelating 2,9-dieth­oxy-1,10-phenanthroline ligand and two symmetry-related Cl atoms in a distorted tetra­hedral environment. The two Zn—N bond lengths are significantly different from each other and the N—Zn—N angle is acute. In the crystal structure, there are weak but significant π–π stacking inter­actions between phenanthroline rings, with a centroid–centroid distance of 3.764 (1) Å. text/html Dichlorido(2,9-dieth­oxy-1,10-phenanthroline-κ2N,N′)zinc(II) text 8 65 2009-08-01 Acta Crystallographica Section E: Structure Reports Online 1600-5368 metal-organic compounds 860 med@iucr.org 860 1600-5368 3-[(3,4-Dichloro­phen­yl)amino­carbon­yl]propionic acid monohydrate http://scripts.iucr.org/cgi-bin/paper?ci2838 In the crystal structure of the title compound, C10H9Cl2NO3·H2O, the conformations of the amide O atom and the carbonyl O atom of the acid segment are anti to the H atoms of adjacent –CH2 groups. In the crystal, the mol­ecules are linked into a three-dimensional network through N—H⋯O and O—H⋯O inter­molecular hydrogen bonds. http://creativecommons.org/licenses/by/2.0/uk urn:issn:1600-5368 Gowda, B.T. Foro, S. Saraswathi, B.S. Fuess, H. 2009-08-01 doi:10.1107/S1600536809024519 International Union of Crystallography en In the crystal structure of the title compound, C10H9Cl2NO3·H2O, the conformations of the amide O atom and the carbonyl O atom of the acid segment are anti to the H atoms of adjacent –CH2 groups. In the crystal, the mol­ecules are linked into a three-dimensional network through N—H⋯O and O—H⋯O inter­molecular hydrogen bonds. text/html 3-[(3,4-Dichloro­phen­yl)amino­carbon­yl]propionic acid monohydrate text 8 65 2009-08-01 Acta Crystallographica Section E: Structure Reports Online 1600-5368 organic compounds 1722 med@iucr.org 1722 1600-5368 Di-μ-sulfato-κ4O:O′-bis­[diaqua­(1H-imidazo[4,5-f][1,10]phenanthroline-κ2N7,N9)cobalt(II)] dihydrate http://scripts.iucr.org/cgi-bin/paper?ng2604 In the centrosymmetric dinuclear title compound, [Co2(SO4)2(C13H8N4)2(H2O)4]·2H2O, the CoII atom is coord­in­ated by two N atoms from two 1H-imidazo[4,5-f][1,10]phenanthroline ligands, two O atoms from two sulfate anions and two O atoms from water mol­ecules in a distorted octa­hedral geometry. The Co⋯Co separation is 5.1167 (7) Å. The coordinated and uncoordinated water mol­ecules engage in N—H⋯O and O—H⋯O hydrogen-bonding inter­actions. http://creativecommons.org/licenses/by/2.0/uk urn:issn:1600-5368 Gong, Y. Zhou, Y. Li, J. Wu, X. Qin, J. 2009-08-01 doi:10.1107/S1600536809024295 International Union of Crystallography en In the centrosymmetric dinuclear title compound, [Co2(SO4)2(C13H8N4)2(H2O)4]·2H2O, the CoII atom is coord­in­ated by two N atoms from two 1H-imidazo[4,5-f][1,10]phenanthroline ligands, two O atoms from two sulfate anions and two O atoms from water mol­ecules in a distorted octa­hedral geometry. The Co⋯Co separation is 5.1167 (7) Å. The coordinated and uncoordinated water mol­ecules engage in N—H⋯O and O—H⋯O hydrogen-bonding inter­actions. text/html Di-μ-sulfato-κ4O:O′-bis­[diaqua­(1H-imidazo[4,5-f][1,10]phenanthroline-κ2N7,N9)cobalt(II)] dihydrate text 8 65 2009-08-01 Acta Crystallographica Section E: Structure Reports Online 1600-5368 metal-organic compounds 844 med@iucr.org 845 1600-5368 catena-Poly[[diaqua­nickel(II)]-bis­(μ-pyridine-4-sulfinato)-κ2N,O;κ2O,N] http://scripts.iucr.org/cgi-bin/paper?at2818 In the title coordination polymer, [Ni(C5H4NO2S)2(H2O)2]n, the NiII ion is located on an inversion centre and is octa­hedrally coordinated by two N and two O atoms of four symmetry-related and deprotonated pyridine-4-sulfinate (ps) ligands together with two water mol­ecules in axial positions. The ps− anions, acting as μ2-bridging ligands, link neighbouring NiII ions into a chain structure along the c axis. These polymeric chains are extended into a three-dimensional framework via inter­molecular O—H⋯O hydrogen bonds with participation of the water mol­ecules. http://creativecommons.org/licenses/by/2.0/uk urn:issn:1600-5368 Du, Z.-X. Ji, S.-N. 2009-08-01 doi:10.1107/S1600536809024258 International Union of Crystallography en In the title coordination polymer, [Ni(C5H4NO2S)2(H2O)2]n, the NiII ion is located on an inversion centre and is octa­hedrally coordinated by two N and two O atoms of four symmetry-related and deprotonated pyridine-4-sulfinate (ps) ligands together with two water mol­ecules in axial positions. The ps− anions, acting as μ2-bridging ligands, link neighbouring NiII ions into a chain structure along the c axis. These polymeric chains are extended into a three-dimensional framework via inter­molecular O—H⋯O hydrogen bonds with participation of the water mol­ecules. text/html catena-Poly[[diaqua­nickel(II)]-bis­(μ-pyridine-4-sulfinato)-κ2N,O;κ2O,N] text 8 65 2009-08-01 Acta Crystallographica Section E: Structure Reports Online 1600-5368 metal-organic compounds 846