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N-(2-羟基-5-甲基苯基)苯甲酰胺的晶体结构

Crystal structure of N-(2-hy-droxy-5-methyl-phen-yl)benzamide.

作者信息

Moreno-Fuquen Rodolfo, Mariño Nory J, Kennedy Alan R

机构信息

Departamento de Química - Facultad de Ciencias Naturales y Exactas, Universidad del Valle, Apartado 25360, Santiago de Cali, Colombia.

WestCHEM, Department of Pure and Applied Chemistry, University of Strathclyde, 295 Cathedral Street, Glasgow G1 1XL, Scotland.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Nov 14;71(Pt 12):o943. doi: 10.1107/S2056989015020575. eCollection 2015 Dec 1.

DOI:10.1107/S2056989015020575
PMID:26870541
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4719913/
Abstract

In the title compound, C14H13NO2, the mean plane of the non-H atoms of the central amide fragment C-N-C(=O)-C (r.m.s. deviation = 0.029 Å) forms dihedral angles of 5.63 (6) and 10.20 (5)° with the phenyl and hy-droxy-phenyl rings, respectively. A short intra-molecular N-H⋯O contact is present. In the crystal, the mol-ecules are linked by O-H⋯O hydrogen bonds to generate C(7) chains along [100]. The chains are reinforced by weak C-H⋯O contacts, which together with the O-H⋯O bonds lead to R 2 (2)(7) loops. Very weak N-H⋯O inter-actions link the mol-ecules into inversion dimers.

摘要

在标题化合物C₁₄H₁₃NO₂中,中心酰胺片段C-N-C(=O)-C的非氢原子平均平面(均方根偏差 = 0.029 Å)与苯环和羟基苯环分别形成5.63 (6)°和10.20 (5)°的二面角。存在一个短的分子内N-H⋯O接触。在晶体中,分子通过O-H⋯O氢键相连,沿[100]方向生成C(7)链。这些链通过弱的C-H⋯O接触得到加强,这与O-H⋯O键一起形成了R 2 (2)(7)环。非常弱的N-H⋯O相互作用将分子连接成反演二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b22a/4719913/0503cd32ce00/e-71-0o943-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b22a/4719913/dd2312b4d1b7/e-71-0o943-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b22a/4719913/e5baef223154/e-71-0o943-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b22a/4719913/0503cd32ce00/e-71-0o943-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b22a/4719913/dd2312b4d1b7/e-71-0o943-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b22a/4719913/e5baef223154/e-71-0o943-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b22a/4719913/0503cd32ce00/e-71-0o943-fig3.jpg

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本文引用的文献

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2-Methyl-N-(3-methyl-phen-yl)benzamide.2-甲基-N-(3-甲基苯基)苯甲酰胺
Acta Crystallogr Sect E Struct Rep Online. 2008 Jan 30;64(Pt 2):o541. doi: 10.1107/S1600536808003103.
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Heterocyclic analogs of benzanilide derivatives as potassium channel activators. IX.作为钾通道激活剂的苯甲酰苯胺衍生物的杂环类似物。IX.
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