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2-氯-N-(2,6-二氯苯基)苯甲酰胺

2-Chloro-N-(2,6-dichloro-phen-yl)benzamide.

作者信息

Gowda B Thimme, Tokarčík Miroslav, Kožíšek Jozef, Sowmya B P, Fuess Hartmut

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 16;64(Pt 8):o1493. doi: 10.1107/S1600536808021223.

Abstract

In the structure of the title compound (N26DCP2CBA), C(13)H(8)Cl(3)NO, the conformations of N-H and C=O bonds in the amide group are trans to each other, similar to that observed in N-(2,6-dichloro-phen-yl)benzamide, 2-chloro-N-phenyl-benzamide, 2-chloro-N-(2-chloro-phen-yl)benzamide and 2-chloro-N-(2,3-dichloro-phen-yl)benzamide with similar bond parameters. Furthermore, the position of the amide O atom is syn to the ortho-chloro group in the benzoyl ring. The amide group makes a dihedral angle of 59.8 (1)° with the benzoyl ring, while the benzoyl and aniline rings make a dihedral angle of 8.1 (2)°. The mol-ecules are linked by N-H⋯O hydrogen bonds into infinite chains running along the b axis.

摘要

在标题化合物(N26DCP2CBA)C(13)H(8)Cl(3)NO的结构中,酰胺基团中N - H键和C = O键的构象相互呈反式,类似于在N-(2,6 - 二氯苯基)苯甲酰胺、2 - 氯 - N - 苯基苯甲酰胺、2 - 氯 - N-(2 - 氯苯基)苯甲酰胺和2 - 氯 - N-(2,3 - 二氯苯基)苯甲酰胺中观察到的具有相似键参数的情况。此外,酰胺O原子的位置与苯甲酰环中的邻位氯原子呈顺式。酰胺基团与苯甲酰环形成的二面角为59.8 (1)°,而苯甲酰环和苯胺环形成的二面角为8.1 (2)°。分子通过N - H⋯O氢键连接成沿b轴延伸的无限链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f269/2962123/530d4a5a1e58/e-64-o1493-fig1.jpg

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