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2-氯-N-(3,4-二甲基苯基)苯甲酰胺

2-Chloro-N-(3,4-dimethyl-phen-yl)benzamide.

作者信息

Rodrigues Vinola Z, Foro Sabine, Gowda B Thimme

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):o2019. doi: 10.1107/S1600536811027267. Epub 2011 Jul 13.

DOI:10.1107/S1600536811027267
PMID:22091050
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3213471/
Abstract

In the title compound, C(15)H(14)ClNO, the conformation of the N-H bond is anti to the meta-methyl group in the aniline ring, while that of the C=O bond is anti to the ortho-chloro group in the benzoyl ring. The mean planes through the two benzene rings make a dihedral angle of 80.8 (2)°. In the crystal, mol-ecules are linked by inter-molecular N-H⋯O hydrogen bonds, forming column-like chains along the b axis.

摘要

在标题化合物C₁₅H₁₄ClNO中,N—H键的构象与苯胺环上的间甲基呈反式,而C=O键的构象与苯甲酰环上的邻氯呈反式。穿过两个苯环的平均平面形成80.8 (2)°的二面角。在晶体中,分子通过分子间N—H⋯O氢键相连,沿b轴形成柱状链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/75c9/3213471/a104009658c5/e-67-o2019-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/75c9/3213471/15ff8dbf88d8/e-67-o2019-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/75c9/3213471/a104009658c5/e-67-o2019-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/75c9/3213471/15ff8dbf88d8/e-67-o2019-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/75c9/3213471/a104009658c5/e-67-o2019-fig2.jpg

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本文引用的文献

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2-Chloro-N-(2,3-dimethyl-phen-yl)benzamide.2-氯-N-(2,3-二甲基苯基)苯甲酰胺
Acta Crystallogr Sect E Struct Rep Online. 2010 Jul 3;66(Pt 8):o1897. doi: 10.1107/S1600536810024943.
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2-Chloro-N-(3,5-dimethyl-phen-yl)benzamide.2-氯-N-(3,5-二甲基苯基)苯甲酰胺
Acta Crystallogr Sect E Struct Rep Online. 2009 Feb 4;65(Pt 3):o444. doi: 10.1107/S1600536809001706.
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Structure validation in chemical crystallography.化学晶体学中的结构验证
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A triclinic polymorph of benzanilide: disordered molecules form hydrogen-bonded chains.苯甲酰苯胺的三斜多晶型物:无序分子形成氢键链。
Acta Crystallogr C. 2003 Jan;59(Pt 1):o1-3. doi: 10.1107/s0108270102019996. Epub 2002 Dec 10.