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N-（3,4-二甲基苯基）苯甲酰胺

N-(3,4-Dimethyl-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. 2007 Dec 21;64(Pt 1):o340. doi: 10.1107/S1600536807066937.

DOI:10.1107/S1600536807066937
PMID:21200902
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2915381/
Abstract

The conformation of the NH bond in the structure of the title compound (N34DMPBA), C(15)H(15)NO, is anti to the meta-methyl substituent in the aniline ring, similar to that observed with respect to the meta-chloro substituent in N-(3,4-dichloro-phen-yl)benzamide (N34DCPBA), but in contrast to the syn conformation observed with respect to the meta-methyl substituent in N-(3,4-dimethyl-phen-yl)acetamide. The bond parameters in N34DMPBA are similar to those in N34DCPBA and other benzanilides. The mol-ecules in N34DMPBA are packed into a column-like structure in the direction of the a axis through N-H⋯O hydrogen bonds.

摘要

标题化合物（N34DMPBA），即C(15)H(15)NO的结构中，NH键的构象与苯胺环上的间位甲基取代基呈反式，这与在N-(3,4-二氯苯基)苯甲酰胺（N34DCPBA）中观察到的相对于间位氯取代基的情况相似，但与在N-(3,4-二甲基苯基)乙酰胺中观察到的相对于间位甲基取代基的顺式构象相反。N34DMPBA中的键参数与N34DCPBA和其他苯甲酰苯胺中的相似。N34DMPBA中的分子通过N-H⋯O氢键在a轴方向堆积成柱状结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/383d/2915381/b1b5fd9eb856/e-64-0o340-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/383d/2915381/d029184a574e/e-64-0o340-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/383d/2915381/b1b5fd9eb856/e-64-0o340-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/383d/2915381/d029184a574e/e-64-0o340-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/383d/2915381/b1b5fd9eb856/e-64-0o340-fig2.jpg

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