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December 2017 issue
inorganic compounds
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The crystal structure of γ-TeO2 has been redetermined on the basis of single-crystal X-ray data. The redetermination confirms the previous model based on powder X-ray data, but with higher precision and accuracy.
CCDC reference: 1589878
metal-organic compounds
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The crystal structure of the title compound features N—H⋯N, N—H⋯Cl and C—H⋯Cl interactions.
CCDC reference: 1588721
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The [H6PtMo6O24]2− anion, whose all six triply bridging O atoms are protonated, was structually characterized. The hexaprotonated anions bind to free platinate anions through strong hydrogen bonds to form a linear polymer in the crystal.
CCDC reference: 1589649
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The title compound, which shows intense luminescence, consists of the three-dimensional coordination polymer [CdIICuI2(CN)6]n2− and (CH3)3NH+ ions.
CCDC reference: 1810643
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The title compound comprises four ligands of 4-picoline in equatorial position around the central atom. Overall, the complex features an octahedral geometry around the Ru centre, with the chloro ligand trans to the nitrosyl.
CCDC reference: 1590068
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The metal complex is composed of a central copper(I) atom, distorted tetrahedrally coordinated by two of the three pyridazine-3-thione rings and the H atom of the scorpionate ligand and a triphenylphosphane ligand.
CCDC reference: 1810696
organic compounds
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The title compound crystallizes with two molecules, A and B, in the asymmetric unit, which are linked into infinite chains along [100] by alternating O—H⋯N (A → B) and O—H⋯O (B → A) hydrogen bonds.
CCDC reference: 1588319
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The cyclohexanone ring in the title compound adopts a half-chair conformation.
CCDC reference: 1499112
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The asymmetric unit of the title compound comprises two independent molecules, which differ primarily in the orientations of the acetyl and p-anisyl substituents. In the crystal, N—H⋯O hydrogen bonds form chains extending parallel to (110).
CCDC reference: 1587649
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The title compound was synthesized from the reaction of an equimolar mixture of 1-[5-methyl-1-(p-tolyl)-1H-1,2,3-triazol-4-yl]ethanone and 3-[5-methyl-1-(p-tolyl)-1H-1,2,3-triazol-4-yl]-1-phenyl-1H-pyrazole-4-carbaldehyde in alcoholic sodium hydroxide.
CCDC reference: 1588740
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The complete molecule of the title cyclotriphosphazene derivative is generated by crystallographic twofold symmetry.
CCDC reference: 1587896
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The dihedral angles between the central benzene ring and the pendant trisubstituted ring and phenyl group are 25.7 (2) and 51.7 (2)°, respectively. The molecular conformation is influenced by an intramolecular O—H⋯N hydrogen bond. In the crystal, N—H⋯O hydrogen bonds link molecules into C(11) chains propagating in [100]
CCDC reference: 1587779
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In this Schiff base hydrate, the dihedral angle between the benzene rings is 0.9 (2)° and an intramolecular O—H⋯N hydrogen bond closes an S(6) ring. In the crystal, Ow—H⋯O (w = water) hydrogen bonds link the components into centrosymmetric tetramers (two Schiff bases and two water molecules).
CCDC reference: 1588757
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In the crystal, the hexafluoridophosphate anion accepts a weak C—H⋯F hydrogen bond from the (E)-3-[4-(benzo[d]oxazol-2-yl)styryl]-1-methylpyridin-1-ium cation to form an ion-pair.
CCDC reference: 1535133
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The cation in the title salt is approximately planar. In the crystal, the components are linked by weak C—H⋯O hydrogen bonds, C—F⋯π interactions and aromatic π–π stacking interactions.
CCDC reference: 1588979
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The title molecule crystallizes with the mid-point of the central C—C bond being located on a crystallographic inversion centre. In the crystal, weak C—H⋯O interactions generate a layered structure.
CCDC reference: 1535126
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The dihedral angle between the planes of the benzene rings is 8.3 (2)° and an intramolecular O—H⋯N hydrogen bond closes an S(6) ring. In the crystal, weak C—H⋯O links connect the molecules into [10] chains.
CCDC reference: 1517954
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In the structure of the bis(selone) 3,3′-[(2-bromo-1,3-phenylene)bis(methylene)]bis(1-butyl-2,3-dihydro-1H-imidazole-2-selone), the two Se atoms are directed in opposite directions with respect to the central benzene ring.
CCDC reference: 1535946
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The structure of the title quinoxaline derivative is reported. The crystal structure features C—H⋯N and C—H⋯O hydrogen bonds together with offset π–π-stacking interactions.
CCDC reference: 1590194
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The asymmetric unit of the title molecular salt contains two cations and two anions. In the crystal, N—H⋯O hydrogen bonds link the components into [100] chains incorporating (10) loops and weak π–π stacking is also observed.
CCDC reference: 1590296
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In the title triazole derivative, the p-tolyl ring is twisted away from the mean plane (r.m.s. deviation = 0.044 Å) of the rest of the molecule by 50.84 (6)°.
CCDC reference: 1810966
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Dihydropyrimidinones constitutes an important organic precursor for a number of molecules with biological activities. The 4-dihydropyrimidin-2(1H)-one moiety displays a half-chair conformation and is almost perpendicular to the aromatic ring and to the prop-2-ynyl chain. An intramolecular C—H⋯O hydrogen bond forms an S(6) ring motif. In the crystal, molecules are linked by pairs of N—H⋯O hydrogen bonds, forming inversion dimers.
CCDC reference: 1812012
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The two independent molecules in the asymmetric unit differ in the orientation of the propyl and phenyl substituents and are associated through a C—H⋯π(ring) interaction. Further sets of C—H⋯π(ring) interactions form sheets parallel to (011), which are connected by sets of inversion-related N—H⋯O hydrogen bonds.
CCDC reference: 1812257
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The title compound is almost planar. In the crystal, weak C—H⋯O and C—H⋯N interactions connect the molecules into ribbons propagating parallel to the a-axis direction.
CCDC reference: 1812524