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Crystal structure of 7-{[bis-(pyridin-2-ylmeth-yl)amino]-meth-yl}-5-chloro-quinolin-8-ol.

ABSTRACT: In the title compound, C22H19ClN4O, the quinolinol moiety is almost planar [r.m.s. deviation = 0.012?Å]. There is an intra-molecular O-H?N hydrogen bond involving the hy-droxy group and a pyridine N atom forming an S(9) ring motif. The dihedral angles between the planes of the quinolinol moiety and the pyridine rings are 44.15?(9) and 36.85?(9)°. In the crystal, mol-ecules are linked via C-H?O hydrogen bonds forming inversion dimers with an R 4 (4)(10) ring motif. The dimers are linked by C-H?N hydrogen bonds, forming ribbons along [01-1]. The ribbons are linked by C-H?? and ?-? inter-actions [inter-centroid distance = 3.7109?(11)?Å], forming layers parallel to (01-1).

SUBMITTER: Kubono K

PROVIDER: S-EPMC4719835 | biostudies-literature | 2015 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of 7-{[bis-(pyridin-2-ylmeth-yl)amino]-meth-yl}-5-chloro-quinolin-8-ol.

Kubono Koji K Kado Kimiko K Kashiwagi Yukiyasu Y Tani Keita K Yokoi Kunihiko K

Acta crystallographica. Section E, Crystallographic communications 20151128 Pt 12

In the title compound, C22H19ClN4O, the quinolinol moiety is almost planar [r.m.s. deviation = 0.012 Å]. There is an intra-molecular O-H⋯N hydrogen bond involving the hy-droxy group and a pyridine N atom forming an S(9) ring motif. The dihedral angles between the planes of the quinolinol moiety and the pyridine rings are 44.15 (9) and 36.85 (9)°. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds forming inversion dimers with an R 4 (4)(10) ring motif. The dimers are linked by C-H⋯N ...[more]

PMID: 26870426

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Crystal structure of catena-poly[[(μ-6-{[bis-(pyridin-2-ylmeth-yl)amino]-meth-yl}pyridine-2-carboxyl-ato)copper(II)] perchlorate aceto-nitrile monosolvate].

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2-({[(Pyridin-1-ium-2-ylmeth-yl)carbamo-yl]form-amido}-meth-yl)pyridin-1-ium bis-(3,5-di-carb-oxy-benzoate): crystal structure and Hirshfeld surface analysis.

Project description:The asymmetric unit of the title salt, C14H16N4O2 (2+)·2C9H5O6 (-), comprises half a dication, being located about a centre of inversion, and one anion, in a general position. The central C4N2O2 group of atoms in the dication are almost planar (r.m.s. deviation = 0.009 Å), and the carbonyl groups lie in an anti disposition to enable the formation of intra-molecular amide-N-H⋯O(carbon-yl) hydrogen bonds. To a first approximation, the pyridinium and amide N atoms lie to the same side of the mol-ecule [Npy-C-C-Namide torsion angle = 34.8 (2)°], and the anti pyridinium rings are approximately perpendicular to the central part of the mol-ecule [dihedral angle = 68.21 (8)°]. In the anion, one carboxyl-ate group is almost coplanar with the ring to which it is connected [Cben-Cben-Cq-O torsion angle = 2.0 (3)°], whereas the other carboxyl-ate and carb-oxy-lic acid groups are twisted out of the plane [torsion angles = 16.4 (3) and 15.3 (3)°, respectively]. In the crystal, anions assemble into layers parallel to (10-4) via hy-droxy-O-H⋯O(carbon-yl) and charge-assisted hy-droxy-O-H⋯O(carboxyl-ate) hydrogen bonds. The dications are linked into supra-molecular tapes by amide-N-H⋯O(amide) hydrogen bonds, and thread through the voids in the anionic layers, being connected by charge-assisted pyridinium-N-O(carboxyl-ate) hydrogen bonds, so that a three-dimensional architecture ensues. An analysis of the Hirshfeld surface points to the importance of O-H⋯O hydrogen bonding in the crystal structure.

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