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N-{4-[(6-氯吡啶-3-基)甲氧基]苯基}-2,6-二氟苯甲酰胺的晶体结构

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

作者信息

Liang Ying, Shi Li-Qiao, Yang Zi-Wen

机构信息

Hubei Biopesticide Engineering Research Center, Hubei Academy of Agricultural Science, Wuhan 430064, People's Republic of China.

出版信息

Acta Crystallogr E Crystallogr Commun. 2016 Jan 1;72(Pt 1):60-2. doi: 10.1107/S2056989015023701.

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 π-π contacts between adjacent pyridine rings [centroid-centroid = 3.8541 (12) Å] and C-H⋯π inter-actions. These contacts combine to stack the mol-ecules along the a axis.

摘要

在标题化合物C₁₉H₁₃ClF₂N₂O₂中,酰胺片段中N - H键的构象与C = O键呈反式。分子不是平面的,中心苯环与外部苯环和吡啶环之间的二面角分别为73.35 (7)°和81.26 (6)°。存在一个弱的分子内C - H⋯O氢键。在晶体中,N - H⋯N、C - H⋯O和C - H⋯F氢键导致二聚体的形成。N - H⋯N反转二聚体通过相邻吡啶环之间的π - π接触[质心 - 质心距离 = 3.8541 (12) Å]和C - H⋯π相互作用相连。这些接触共同作用使分子沿a轴堆积。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/75c7/4704742/69c233226ab4/e-72-00060-fig1.jpg

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