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4-乙酰氨基苯甲酸一水合物的晶体结构。

Crystal structure of 4-acetamido-benzoic acid monohydrate.

作者信息

Cai Wen-Juan, Chi Shao-Ming, Kou Jun-Feng, Liu Feng-Yi

机构信息

College of Chemistry and Chemical Engineering, Yunnan Normal University, Kunming 650500, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 11;70(Pt 11):o1154. doi: 10.1107/S1600536814021886. eCollection 2014 Nov 1.

Abstract

In the title compound, C9H9NO3·H2O, the plane of the acetamide group is oriented at 20.52 (8)° with respect to the benzene ring, whereas the plane of the carb-oxy-lic acid group is essentially coplanar with the benzene ring [maximum deviation = 0.033 (1) Å]. In the crystal, classical O-H⋯O and N-H⋯O hydrogen bonds and weak C-H⋯O hydrogen bonds link the organic mol-ecules and water mol-ecules of crystallization into a three-dimensional supra-molecular architecture.

摘要

在标题化合物C9H9NO3·H2O中,乙酰胺基团的平面相对于苯环的取向为20.52 (8)°,而羧酸基团的平面与苯环基本共面[最大偏差 = 0.033 (1) Å]。在晶体中,经典的O—H⋯O和N—H⋯O氢键以及弱的C—H⋯O氢键将有机分子和结晶水分子连接成三维超分子结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fe3f/4257246/4e52989792b5/e-70-o1154-fig1.jpg

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