issue contents

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890

October 2014 issue

Highlighted illustration

Cover illustration: The molecular structures of the molybdenum(II) cyclopentadienyl complexes [Mo(C5H5)(COCH3)P(CH3)2(C6H5)(CO)2], (1), and [Mo(C5H5)(COCH3)P(C2H5)(C6H5)2)(CO)2], (2), exhibit a four-legged piano-stool geometry with trans-disposed carbonyl ligands. The steric demands of the different phosphine ligands in (1) and (2) have a minor effect on bond lengths and angles within the complex molecule whereas the crystal packing in both structures is markedly different, with the acetyl oxygen atom playing a crucial role as an acceptor of non-classical C---H...O hydrogen bonds. See: Whited, Hofmeister, Hodges, Jensen, Keyes, Ngamnithiporn & Janzen [Acta Cryst. (2014). E70, 216-220].

research communications


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In the hydrogen-bonded structure of the Mg salt of the herbicide (2,4-di­chloro­phen­oxy)acetic acid (2,4-D), the metal atom is octa­hedrally coordinated by a monodentate 2,4-D ligand and five water mol­ecules, with a 2,4-D counter-anion and half a solvent water mol­ecule completing the crystal structure.

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The coordination geometry around the central CoII ion is unexpectedly different from that for the co-crystal of the title mol­ecule with anthranilic acid.

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The title compound comprises a 2-imino­pyridine ring fused with a cyclo­octane ring, which adopts a twist boat–chair conformation. Inter­molecular C—H⋯N inter­actions form R_{2}^{2}(14) ring motifs and mol­ecules are further connected by weak C—H⋯π inter­actions.

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In 1,8-dibenzoyl-2,7-di­phen­oxy­naphthalene, the planes of the benzene rings of the four naphthalene substituents are almost perpendicular to that of the naphthalene core.

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In the title compound, the silver(I) ions are coordinated by four tri­phenyl­phosphane ligands and two 2,2-di­allyl­malonate anions in a μ4-(κ6O1,O3:O3:O1′,O3′:O1′) mode, setting up an Ag4O8P4 core.

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The bicyclic aromatic benzimidazolium cation stabilizes the layered perovskite structure comprising inorganic {[SnI4]2−}n sheets. A di­fluoro-substitution of the organic cation demonstrates the structural versatility of the new approach.

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The crystal structures of the co-crystal adducts of 3,5-di­nitro­benzoic acid with 4-amino­salicylic acid (a 2:2:0.4-hydrate) and with 2-hy­droxy-3-(1H-indol-3-yl)propenoic acid (a 1:1:1 d6-DMSO solvate) show, respectively, polymeric and hexa­molecular hydrogen-bonded and π–π-bonded structures

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The crystal structure of the title compound consists of a polymeric chain of SmIII cations and nitrate anions, cross-linked in two dimensions with an organic ligand.

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The title compound crystallized as racemic tandem OO—H⋯O=C hydrogen-bonded dimers stacked along [100] in the space group P\overline{1}. This is the first crystallographically characterized example of a hydro­peroxide obtained from the autoxidation of a Diels–Alder adduct of a 2-vinyl five-membered heterocycle.

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A one-dimensional chain formed by potassium bridged by μ2-O-di­methyl­acetamide is reported. This represents a small class of di­methyl­acetamide complexes with oxygen bridging two metal centers.

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The title compounds are the 3-ethyl, (I), and 3-isopropyl, (II), derivatives of (1-methyl-2,6-diphenylpiperidin-4-ylidene)amino phenyl carbonate. The main difference in the conformation of the two compounds is the angle of inclination of the phenoxycarbonyl ring with respect to the piperidine ring mean plane, with a dihedral angle of 2.05 (8)° in (I) and 45.24 (13)° in (II).

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The title salts, C8H13N4+·Cl, (I), and C8H13N4+·NO3, (II), contain linked pyridinium–piperazine heterocycles. In the crystal of (I), weak N—H⋯Cl inter­actions lead to zigzag chains along [100] while in the crystal of (II), bifurcated N—H⋯(O,O) hydrogen bonds and weak C—H⋯O inter­actions collectively link the components into infinite chains along [100].

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The copper(II) ion of the anhydrous form of bis­(sarcosinato)copper(II) exhibits a [4 + 2] coordination sphere with four shorter equatorial bonds to the N and carboxyl­ate O atoms of two sarcosinate anions, and two longer axial bonds to O atoms of neighboring complexes, leading to a sheet structure parallel to (001).

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The MnIII ion in the title compound shows a slightly distorted octa­hedral coordination geometry with two O and four N atoms of the pyrrolyl derivative ligand. In the crystal, inter­molecular N—H⋯O hydrogen bonds between the pyrrole group of the ligand and the uncoordinated nitrate ion give a chain structure along [10\overline{1}].

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In the crystal, the benzamide mol­ecules are linked by N—H⋯O hydrogen bonds to generate tetra­mers with an approximate square-prismatic shape, which appears to correlate with the tetra­gonal crystal symmetry.

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The crystal structures of the title compounds are compared, showing mol­ecular parameters that reflect the relative steric pressure of their respective phosphine ligands. Their supra­molecular properties are distinct but in both cases are organized around short C—H⋯O contacts involving the acetyl ligands.

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The title salt crystallized with two anions and two cations in the asymmetric unit, together with three water mol­ecules. In the crystal, the anions are linked via O—H⋯O hydrogen bonds, involving the water mol­ecules, forming chains along [100] and the cations are linked to these chains by N—H⋯O hydrogen bonds.

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The title mol­ecule, a rare example of a π-conjugated triazene, crystallized with two independent mol­ecules in the asymmetric unit. In the crystal, the two independent mol­ecules stack head-to-tail probably due to the presence of the dipole moment of the meta nitro group.

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In the title compound, seratrodast has crystallized with trometamol to form a monohydrated salt. The carb­oxy­lic acid group of seratrodast has transferred its proton to the amino N atom of trometamol.

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In the nearly planar 2-pentyl­oxybenzamide mol­ecule, there is an intra­molecular N—H⋯O hydrogen bond involving one amide proton and the ether oxygen. In the crystal, pairs of N—H⋯O hydrogen bonds organize mol­ecules into inversion dimers lying in two planes, (121) and (1\overline{2}1).

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The PrIII cation is surrounded ninefold by five sulfate groups (two monodentate and three chelating) and by one water mol­ecule. The [Pr(SO4)5(H2O)] groups are arranged in sheets parallel to (010); two crystal water mol­ecules and two ethyl­enedi­ammonium cations connect the sheets via O—H⋯O and N—H⋯O hydrogen bonds into a three-dimensional framework structure.

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The first five-membered group-VI 3-ferrocenyl heterocycle bearing a further aromatic substituent at the 1′ position of the ferrocene backbone is reported.

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In the title compound the Mn Nnitride distance is 1.516 (4) Å. The Mn atom is displaced from the plane defined by the four equatorial nitro­gen atoms toward the nitride ligand by 0.3162 (6) Å.

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The penta­cyclo­undecane cage derivative exhibits unusual Csp3—Csp3 single bond lengths ranging from 1.495 (3) to 1.581 (2) and strained bond angles as small as 89.29 (12) and as large as 115.11 (11)°.

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In the title compound, the dihedral angle between the plane of the benzo­furan ring and the 4-fluoro­phenyl ring is 82.45 (4)°. In the crystal, mol­ecules are linked via three different pairs of C—H⋯O hydrogen bonds, forming chains along [001] and enclosing two R_{2}^{2}(10) and one R_{2}^{2}(12) ring motifs.

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In the square-planar [Ni(C14H11FNO)2] complex, weak C—H⋯F and C—H⋯π inter­actions play an important role in the mol­ecular self-assembly, resulting in the formation of 2D mol­ecular sheets which are stacked along the b axis.

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In the title mol­ecular salt, the two rings of the barbiturate anion are inclined to one another by 43.40 (3)°. In the crystal, the cations and anions are linked via N—H⋯O hydrogen bonds, forming zigzag chains along [10\overline{1}], which in turn are linked by O—H⋯O and C—H⋯O hydrogen bonds, forming slabs lying parallel to (10\overline{1}).

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In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds, forming inversion dimers, which are linked by a further N—H⋯O hydrogen bond, forming chains along [100]. There are intra- and inter­molecular C—H⋯π inter­actions present, the latter linking the chains to form a three-dimensional supra­molecular structure.

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In the title mol­ecule, C21H20ClF2NO2, the piperidine ring adopts a slightly-distorted boat conformation, the two benzene rings form a dihedral angle of 87.43 (1)° and a weak intra­molecular C—H⋯π inter­action is observed. In the crystal, weak C—H⋯O hydrogen bonds and weak C—H⋯π inter­actions connect mol­ecules forming a three-dimensional network.

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The highlighted ruthenium complex forms discrete dimers by π–π stacking inter­actions and hydrogen bonds. This combination of inter­actions results in an unusual nearly face-to-face π–π stacking mode.

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organic compounds