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Crystal structure of N-{4-[(6-chloro-pyridin-3-yl)meth-oxy]phen-yl}-2,6-di-fluoro-benzamide.

ABSTRACT: In the title compound, C19H13ClF2N2O2, the conformation of the N-H bond in the amide segment is anti to the C=O bond. The mol-ecule is not planar, with dihedral angles between the central benzene ring and the outer benzene and pyridyl rings of 73.35?(7) and 81.26?(6)°, respectively. A weak intra-molecular C-H?O hydrogen bond occurs. In the crystal, N-H?N, C-H?O and C-H?F hydrogen bonds lead to the formation of dimers. The N-H?N inversion dimers are linked by ?-? contacts between adjacent pyridine rings [centroid-centroid = 3.8541?(12)?Å] and C-H?? inter-actions. These contacts combine to stack the mol-ecules along the a axis.

SUBMITTER: Liang Y

PROVIDER: S-EPMC4704742 | biostudies-literature | 2016 Jan

REPOSITORIES: biostudies-literature

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Crystal structure of N-{4-[(6-chloro-pyridin-3-yl)meth-oxy]phen-yl}-2,6-di-fluoro-benzamide.

Liang Ying Y Shi Li-Qiao LQ Yang Zi-Wen ZW

Acta crystallographica. Section E, Crystallographic communications 20160101 Pt 1

In the title compound, C19H13ClF2N2O2, the conformation of the N-H bond in the amide segment is anti to the C=O bond. The mol-ecule is not planar, with dihedral angles between the central benzene ring and the outer benzene and pyridyl rings of 73.35 (7) and 81.26 (6)°, respectively. A weak intra-molecular C-H⋯O hydrogen bond occurs. In the crystal, N-H⋯N, C-H⋯O and C-H⋯F hydrogen bonds lead to the formation of dimers. The N-H⋯N inversion dimers are linked by π-π contacts between adjacent pyridin ...[more]

PMID: 26870586

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