Showing papers in "IUCrData in 2016"

TL;DR: In the title chalcone derivative, C15H9Cl2FO, the dihedral angle between the aromatic rings is 19.13°(15)° and the double bond adopts an E conformation as discussed by the authors.

TL;DR: The title compound, C19H22O2, was synthesized in three steps from a mixture of α-, β- and γ-himachalene, which was isolated from an essential oil of the Atlas cedar (Cedrus atlantica) as mentioned in this paper.

TL;DR: In this article, C6H9N2+·C7H5O3− makes a dihedral angle of 16.26° with the plane of the six-membered ring of the anion.

TL;DR: The asymmetric unit of the title compound, C6H8N+·C8H5O4−·0.5 C8H6O4, contains a 2-methylpyridinium cation, a 2 carboxy-benzoate monoanion and half of the co-crystallized benzene-1,2-di-carb-oxy-lic acid molecule, which lies on a mirror plane.

TL;DR: The crystal structure of the title salt, C13H19Cl2N2+·Cl−, has been reported previously [Homrighausen & Krause Bauer (2002),.

TL;DR: The asymmetric unit of the title compound, C11H10O3, contains two crystallographically independent molcules, A and B, with closely matching conformations (r.m.s. overlay fit = 0.105

TL;DR: The title compound, C18H16ClF2NO, contains one independent molcone in the asymmetric unit, with the piperidin-4-one ring adopting a slightly distorted chair conformation and an equatorial orientation of all the substituents except chlorine as discussed by the authors.

TL;DR: The title compound, C8H4BrNO2·0.5H2O, has a single planar mol-ecule in the asymmetric unit with the non-H atoms having a mean deviation from planarity of 0.028 as mentioned in this paper.

TL;DR: The trans configuration of the C=C double bond in the central enone group is confirmed by the C-C=C-C torsion angle of 177.6°.

TL;DR: In this article, the Ni2+ cation is coordinated by two terpyridine ligands to form a discrete complex and the coordination polyhedron can be described as a slightly distorted octa-hedron.

TL;DR: In this article, the piperidine ring adopts a slightly distorted chair conformation and the phenyl rings and the benzyl group substituents are attached equatorially.

TL;DR: The pyrimidinium cation is essentially planar, with a maximum deviation of 0.042 ǫ(3)ǫA for all non-H atoms as discussed by the authors.

TL;DR: The title compound, C8H4BrNO2, has a single planar mol-ecule in the asymmetric unit with the non-H atoms possessing a mean deviation from planarity of 0.024.

TL;DR: The asymmetric unit of the title compound, [Fe(H2B(pz)2)2(CH3OH)2] as mentioned in this paper, consists of one FeII cation that is located on a centre of inversion.

TL;DR: In this article, the OH group of the carboxy-methyl acid and central N atom of the cation are close to being eclipsed [N −C −C−C−O = 11.6°(3)°], in the crystal, C−H⋯·O, O−H−O and N−H•O hydrogen bonds link the components into (001) sheets.

TL;DR: The asymmetric unit of the title compound, C24H23NO, contains two crystallographically independent mol-ecules (A and B) as mentioned in this paper, and the piperidine rings adopt a chair conformation and the phenyl rings and the benzyl group substituents are attached equatorially.

TL;DR: In the title compound, C10H7NO3·H2O, O-H⋯O hydrogen bonds involving the carboxyl groups, the keto groups and the lattice water mol-ecules form stepped sheets approximately parallel to {010} which are tied together by pairwise N-H-O inter-actions.

TL;DR: In the title compound, C11H10BrNO2, the indoline ring system has an r.m.s. deviation of 0.026 µm. as discussed by the authors.

TL;DR: In the case of C12H12O3, the dihedral angle between the planes of the carb-oxy-lic acid group and the benzo-furan ring system (r.m.s. deviation = 0.012

TL;DR: In this paper, the triazolo-pyrimidine ring system and the (dimethyamino) acrylate unit are nearly perpendicular to each other, subtending a dihedral angle of 78.55°(6)°.

TL;DR: In this paper, the anion is deprotonated at the carboxy-oxy-lic acid group adjacent to the nitro group and linked to an [001] chain by O-H⋯O hydrogen bonds.

TL;DR: The C8H4INO2 as discussed by the authors is an almost planar compound with an r.m.s. deviation of 0.03 for all non-H atoms in the crystal.

TL;DR: The title compound, C8H4BrNO2 as discussed by the authors, has a single, almost planar, planar molcule in the asymmetric unit, with the non-H atoms having a mean deviation from planarity of 0.024 A.

TL;DR: In this article, the pyridine ring is inclined at an angle of 24.96° to the benzene ring, and adjacent anions and cations are linked by a pair of N-H⋯O hydrogen bonds, generating an R22(8) ring motif.

TL;DR: The title compound, C14H8ClF3N2O, is approximately planar, with a dihedral angle of 4.73° between the planes of the chloro-phenyl and tri-fluoro-benzyl-idene rings as mentioned in this paper.

TL;DR: In the title compound, C15H10BrNO2, the indoline ring system, the two ketone O atoms and the Br atom lie in a common plane, with the largest deviation from the mean plane being 0.073

TL;DR: The almost planar (r.m.s. deviation = 0.034) title compound, C7H4S3, was synthesized by reacting 2,2-di-thiodi-benzoic acid with phospho-rus penta-sulfide in xylene solution as mentioned in this paper.

TL;DR: In this paper, C8H5ClN2O2 (common name: 5-chloroisatin 3-oxime), the structure deviates slightly from the ideal planarity, with a maximum deviation of 0.0478

TL;DR: In this paper, the indole ring systems are oriented orthogonally, as indicated by the dihedral angle between them of 88.49°(5)°, and the fluoro-phenyl ring is nearly perpendicular to one of the ring systems [dihedral angle = 85.31°(16)°] and twisted by 63.6° from the other.