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February 2019 issue
metal-organic compounds
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The central NiII ion has an N5O octahedral coordination sphere defined by a tridentate 2,4,6-tris(pyridin-2-yl)-1,3,5-triazine ligand, two SCN− anions and a methanol ligand.
CCDC reference: 1894495
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The organic–inorganic hybrid salt, [K(C8H12BO6)(H2O)0.5]n, is made up from a bis(2-methyllactato)borate anion, a potassium cation and a half-occupied water molecule.
CCDC reference: 1895641
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The chloride anion in the polymeric title salt [Na(N(CH2CH2OH)3)]Cl controls the supramolecular structure in such a way that infinite polymeric chains formed by coordination of the sodium cation by the amino alcohol are linked via hydrogen bridges, giving a two-dimensional network structure.
CCDC reference: 1897488
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In the title compound, [Mo(C10H12N2O)(CO)4], the molybdenum(0) center is surrounded by a bidentate diimine [4,4-dimethyl-2-(pyridin-2-yl)-2-oxazoline] and four carbonyl ligands in a distorted octahedral coordination geometry.
CCDC reference: 1899206
organic compounds
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In the title compound, the two indole ring systems are normal to each other, subtending a dihedral angle of 87.43 (16)°.
CCDC reference: 1893147
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The crystal structure of a biologically important pharmacophore is reported.
CCDC reference: 1894750
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The crystal structure of a biologically important pharmacophore containing 1,4-dihydropyridine is reported.
CCDC reference: 1895315
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The crystal structure is characterized by a range of intermolecular interactions including C—H⋯F, C—H⋯Cl and C—H⋯O contacts. Aromatic π–π stacking between chromonyl groups and chlorophenyl groups [centroid–centroid separations = 3.7170 (16) and 4.017 (2) Å, respectively] lead to columns of molecules propagating parallel to the [100] direction.
CCDC reference: 1894531
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The linked ring system is close to planar while the fluorophenyl group is almost perpendicular to the pyrazoyl ring. In the crystal, inversion dimers linked by pairs of C—H⋯S contacts are observed.
CCDC reference: 1895864
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The asymmetric unit consists of two independent molecules. In the crystal, the two independent molecules form dimers linked by four C—H⋯O hydrogen bonds with each O atom accepting two such links.
CCDC reference: 1896425
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In the crystal, the molecules are related by c-glide symmetry to form columns parallel to [001] which are linked by intermolecular N—H⋯O, C—H⋯O and C—H⋯Br contacts.
CCDC reference: 1897679
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The title compound comprises phenyl (A), triazolyl (B), thiazolyl (C), pyrazoyl (D), tolyl (E) and fluorophenyl (F) rings, with twist angles between neighbouring ring pairs A/B, B/C, C/D, D/E and D/F of 64.6 (1), 11.7 (2), 23.5 (2), 8.2 (2) and 73.3 (1)°, respectively. A short intramolecular C—H⋯N contact and a weak intermolecular C—H⋯π interaction occur.
CCDC reference: 1897508
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In the crystal, inversion-related pairs of molecules are linked by weak C—H⋯N interactions, forming dimers. These dimers interact through π–π contacts between the thiazolyl units [centroid-to-centroid distance = 3.826 (1) Å], forming chains along [010].
CCDC reference: 1896426
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The title compound crystallizes in space group P212121. The phenyl rings have a twisted conformation.
CCDC reference: 1896436
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Planar pentacyclic chloroaromatics are arranged in parallel layers, with the chlorine atoms protruding from these planes. Channels orthogonal to these layers are filled with disordered cyclohexane molecules.
CCDC reference: 1897363
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The title molecule comprises fluorophenyl (A), methyltriazolyl (B), methyltriazolyl (C) and tolyl (D) rings. The twist angles between the planes through neighbouring ring pairs A/B, B/C and C/D are 45.0 (1), 9.4 (1) and 43.2 (1)°, respectively.
CCDC reference: 1898411
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The iodophenyl group is connected at the 3-position while the central propylene chain of the pentanedinitrile moiety contains one gauche conformation as a result of steric repulsion with the phenyl ring. Intermolecular close contacts in the crystal comprise a weak Csp3—H⋯N hydrogen bond and a C—I⋯N halogen bond.
CCDC reference: 1899183
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The title compound was harvested from the particle filter of a biofuel bus engine.
CCDC reference: 1899502