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Journal logoIUCrDATA
ISSN: 2414-3146

February 2019 issue

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Cover illustration: In the structure of (methanol-[kappa]O)bis­(thio­cyanato-[kappa]N)[2,4,6-tris(pyridin-2-yl)-1,3,5-triazine-[kappa]3N2,N1,N6]nickel(II) methanol monosolvate, [Ni(NCS)2(C18H12N6)(CH3OH)]·CH3OH, the NiII ion is six-coordinated in an octa­hedral coordination environment defined by three N atoms from a 2,4,6-tris­(pyridin-2-yl)-1,3,5-triazine ligand, two N atoms from two mutually cis-positioned SCN- anions and one O atom from a methanol ligand. The complex and methanol solvent mol­ecules are linked by inter­molecular hydrogen bonds. In the crystal, the complex mol­ecules are stacked in columns parallel to the b axis. See: Ha [IUCrData (2019). 4, x190169].

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.

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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.

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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.

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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.

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)°.

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The crystal structure of a biologically important pharmacophore is reported.

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The crystal structure of a biologically important pharmacophore containing 1,4-di­hydro­pyridine is reported.

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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.

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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.

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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.

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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.

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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.

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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].

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The title compound crystallizes in space group P212121. The phenyl rings have a twisted conformation.

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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.

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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.

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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.

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The title compound was harvested from the particle filter of a biofuel bus engine.
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