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N-(3-甲基苯基)苯甲酰胺

N-(3-Methyl-phen-yl)benzamide.

作者信息

Gowda B Thimme, Foro Sabine, Sowmya B P, Fuess Hartmut

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Oct 31;64(Pt 11):o2247. doi: 10.1107/S1600536808035186.

Abstract

The asymmetric unit of the title compound, C(14)H(13)NO, contains four mol-ecules, which are linked through N-H⋯O hydrogen bonds into two symmetry-independent chains running parallel to [001] and [101]. The N-H and C=O bonds of the amide groups are trans oriented in all four mol-ecules. The mol-ecules are not planar and both aromatic rings are twisted strongly relative to the plane of the amide group. The dihedral angle between the two benzene rings ranges from 70.6 (2) to 74.2 (2)°. The N-H bond is anti to the meta-methyl substituent in the aniline fragment in three of the four symmetry-independent mol-ecules. In the fourth mol-ecule, the aniline unit is disordered over two nearly coplanar positions; the anti and syn conformers occupy the same site in the crystal with equal probability.

摘要

标题化合物C(14)H(13)NO的不对称单元包含四个分子,这些分子通过N-H⋯O氢键连接成两条平行于[001]和[101]的独立对称链。在所有四个分子中,酰胺基团的N-H键和C=O键呈反式取向。分子不是平面的,两个芳香环相对于酰胺基团的平面都有强烈扭曲。两个苯环之间的二面角范围为70.6 (2)至74.2 (2)°。在四个独立对称分子中的三个分子中,N-H键与苯胺片段中的间甲基取代基呈反式。在第四个分子中,苯胺单元在两个几乎共面的位置上无序;反式和顺式构象体在晶体中占据相同的位置,概率相等。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6d05/2959694/5a74298fcbf9/e-64-o2247-fig1.jpg

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