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February 2016 issue
metal-organic compounds
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In the crystal of the complex comprising a [Pt(1,10-phen)2]2+ complex cation (1,10-phen = 1,10-phenanthroline), two 3-sulfobenzoate anions and two lattice water molecules, the anions and water molecules form hydrogen-bonded centrosymmetric dimers. In addition, π–π interactions are observed between 1,10-phenanthroline ligands and 3-sulfobenzoate anions.
CCDC reference: 1451710
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In the structure of N-ferrocenymethyl-N-phenylacetamide, the asymmetric unit comprises two unique molecules with the two cyclopentadienyl rings of each ferrocene residue nearly eclipsed and parallel to one another. In the crystal, C—H⋯O hydrogen bonds stack molecules along a.
CCDC reference: 1451430
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The title compound is a one-dimensional helical coordination polymer. The C—Ag—N bond angle is 168.3 (1)°.
CCDC reference: 1452331
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The crystal structure of [(bipy)(μ-Cl)NiCl(DMF)]2 is reported. The compound exists as a dimer with two octahedral nickel atoms.
CCDC reference: 1453181
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In the hydrated title compound, the crystal structure is stabilized by B—H⋯H—O and B—H⋯H—C dihydrogen bonds.
CCDC reference: 1454125
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The asymmetric unit of the solvated title salt comprises two cations, one half [Bi4Cl16]4− ion and one acetonitrile molecule. The C—N bond lengths in both guanidinium ions indicate double-bond character, pointing towards charge delocalization within the NCN planes. The crystal structure is stabilized by a three-dimensional network of C—H⋯Cl hydrogen bonds.
CCDC reference: 1455405
organic compounds
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The bond lengths in the cation of the title salt, C12H24N42+.2 C24H20B−, indicate delocalization of the positive charges over the dimethylamino groups.
CCDC reference: 1450255
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The title compound, C11H10O3, contains two crystallographically independent molecules with similar conformations (r.m.s. overlay fit = 0.105 Å); both form carboxylic acid inversion dimers linked by pairs of O—H⋯O hydrogen bonds in the crystal.
CCDC reference: 1401315
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The crystal structure of 6-fluoro-1H-indole-2,3-dione is reported. In the crystal N—H⋯O, C—H⋯O and C—H⋯F interactions are present.
CCDC reference: 1450254
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The 15 non-H atoms in the title compound are coplanar with the methyl group sitting prime to the plane. Supramolecular undulating ribbons sustained by C—H⋯O interactions are found in the crystal structure.
CCDC reference: 1448516
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The title molecule, C18H18N2O5, is close to planar (r.m.s. deviation = 0.173 Å). Weak C—H⋯O interactions and aromatic π–π stacking occur in the crystal.
CCDC reference: 1450256
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In the crystal of the title compound, C17H19NO3S2, inversion dimers linked by pairs of weak C—H⋯O hydrogen bonds generate (16) loops.
CCDC reference: 1450290
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In the title compound, C18H21NO2S2, the dihedral angle between the coumarin unit and the piperidine ring is 60.54 (8)°.
CCDC reference: 1450258
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The crystal structure of 5-bromo-1H-indole-2,3-dione is reported. In the crystal, molecules are linked by N—H⋯O and C—H⋯O interactions.
CCDC reference: 1450609
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The fused cyclic system of the title compound, commonly known as limonin, consists of a cyclohexane, a cyclohexanone, a furan, an epoxide and two lactone rings.
CCDC reference: 1450293
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The crystal structure of C13H19Cl2N2+·Cl− determined at 100 K resolves the disorder of the chloropropyl group that was observed in the room-temperature structure.
CCDC reference: 1450257
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In the solvated title compound, the C—N bonds in the CN3 unit of the dication show partial double-bond character and one positive charge is delocalized. The second positive charge is localized in the trimethylammonium group. The crystal structure is stabilized by N—H⋯O and C–H⋯O hydrogen bonds. C—H⋯π interactions are present between the guanidinium H atoms and the phenyl C atoms of the tetraphenylborate ions.
CCDC reference: 1448754
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The title compound, which is an analogue of ligands used in olefin polymerization catalysts, crystallizes with two molecules in the asymmetric unit, both of which feature intramolecular O—H⋯N hydrogen bonds.
CCDC reference: 1451497
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In the 6H-dipyrido[1,2-a:2′,1′-d][1,3,5]triazin-5-ium cation, the central 1,3,5-triazinium ring has a flat boat conformation and the outer heterocyclic rings are nearly planar. In the crystal, classical O—H⋯Br hydrogen bonds and weak C—H⋯Br and C—H⋯O hydrogen bonds link the cations, bromide anions and lattice water molecules into a three-dimensional supramolecular network.
CCDC reference: 1450784
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The title compound crystallized with two independent molecules (A and B) in the asymmetric unit. In the crystal, the molecules are linked to one another via N—H⋯O hydrogen bonds forming –A–B–A–B– chains along [100].
CCDC reference: 1451096
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In the title dithiocarbazate derivative, the trimethoxyphenyl group and the dithiocarbazate fragment lie almost in the same plane; the mean plane of the dithiocarbazate unit being inclined to the trimethoxyphenyl ring by 13.34 (6)°.
CCDC reference: 1434503
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The crystal packing of the compound does not feature any specific strong or weak intermolecular interactions.
CCDC reference: 1451830
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In the crystal structure of 4-iodo-1H-indole-2,3-dione, both N—H⋯O hydrogen bonds and I⋯O and π–π interactions are observed.
CCDC reference: 1451748
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In the solvated title compound, the C—N bonds in the CN3 units of both dications show partial double-bond character and one positive charge is delocalized. The second positive charge is localized in the trimethylammonium groups. The crystal structure is stabilized by C—H⋯O and C—H⋯π interactions.
CCDC reference: 1452058
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The title compound displays a `propeller-like' structure, with the mean planes of the two alloxan units almost normal with respect to the central aromatic ring and inclined to one another by 40.86 (7)°. This compound can be used as a model for possible binding to a solid phase for separation techniques of certain ion-pairs from aqueous solutions.
CCDC reference: 1451787
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The nearly planar title molecules are linked by a pairs of N—H⋯O interactions into an inverson dimer. The dimers are connectec by weak H⋯Cl interactions into a two-dimensional hydrogen-bonded polymer and stacked along the b axis, connected by weak π–π interactions. An in silico evaluation of the title compound with an topoisomerase enzyme was performed and several intermolecular interactions can be assigned.
CCDC reference: 1453122
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The crystal structure of 4-bromo-1H-indole-2,3-dione is reported. In the crystal, N—H⋯O, Br⋯O and π–π interactions are present.
CCDC reference: 1445034
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The crystal structure of 7-bromo-1H-indole-2,3-dione is reported. In the crystal, N—H⋯O, Br⋯O and π–π interactions are present.
CCDC reference: 1453500
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The molecule is a double zwitterion with two of the carboxylic acid H atoms transferred to the two N atoms. Intermolecular N—H⋯O and O—H⋯O hydrogen bond involving the ammonium groups, the carboxylate groups and the water molecules are observed.
CCDC reference: 1452936
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The bicyclic core of the title compound is slightly folded [1.9 (1)°], while pairwise intermolecular N—H⋯O hydrogen bonding forms dimers across centers of symmetry.
CCDC reference: 1453514
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Interaction of the arylamido germylene [Ph2Si(DippN)2Ge:] with elemental sulfur afforded a new germanethione dimer and its structure is reported here.
CCDC reference: 1454736
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The molecular and crystal structure of the centrosymmetric 2,5-dimethoxy-3,4,6-trimethylbenzaldehyde is reported. The methyl and aldehyde substituents are disordered over four carbon atoms of the benzene ring.
CCDC reference: 1454961
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The cyanide group is anti to the iodide substituent of the adjacent benzene ring. Supramolecular C(8) chains, mediated by C—H⋯N interactions, are found in the molecular packing.
CCDC reference: 1455354