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3-甲基-N-苯基苯甲酰胺

3-Methyl-N-phen-ylbenzamide.

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 Mar 29;64(Pt 4):o770. doi: 10.1107/S1600536808008143.

DOI:10.1107/S1600536808008143
PMID:21202157
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2961009/
Abstract

The conformation of the C=O bond in the structure of the title compound, C(14)H(13)NO, is anti to the meta-methyl substituent in the benzoyl ring. The conformations of the N-H and C=O bonds in the amide group are also anti to each other. The asymmetric unit of the structure contains two mol-ecules. The bond parameters are similar to those in N-(phen-yl)benzamide, 2-methyl-N-(phenyl)-benz-amide and other benzanilides. The amide group -NHCO- forms dihedral angles of 20.97 (34) and 45.65 (19)° with the benzoyl rings, and 41.54 (25) and 31.87 (29)° with the aniline rings, in the two independent mol-ecules. The benzoyl and aniline rings adopt dihedral angles of 22.17 (18) and 75.86 (12)° in the two independent mol-ecules. In the crystal structure, mol-ecules are linked into chains by inter-molecular N-H⋯O hydrogen bonds.

摘要

标题化合物C(14)H(13)NO结构中C=O键的构象与苯甲酰环上的间甲基取代基呈反式。酰胺基团中N-H键和C=O键的构象也相互呈反式。该结构的不对称单元包含两个分子。键参数与N-(苯基)苯甲酰胺、2-甲基-N-(苯基)苯甲酰胺及其他苯甲酰苯胺中的键参数相似。在两个独立分子中，酰胺基团-NHCO-与苯甲酰环形成的二面角分别为20.97 (34)°和45.65 (19)°，与苯胺环形成的二面角分别为41.54 (25)°和31.87 (29)°。在两个独立分子中，苯甲酰环和苯胺环的二面角分别为22.17 (18)°和75.86 (12)°。在晶体结构中，分子通过分子间N-H⋯O氢键连接成链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/033b/2961009/81831bb7bc35/e-64-0o770-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/033b/2961009/81afe425052d/e-64-0o770-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/033b/2961009/81831bb7bc35/e-64-0o770-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/033b/2961009/81afe425052d/e-64-0o770-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/033b/2961009/81831bb7bc35/e-64-0o770-fig2.jpg

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