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4-[(2-羧基-乙基)氨基]苯甲酸一水合物

4-[(2-Carb-oxy-eth-yl)amino]-benzoic acid monohydrate.

作者信息

Jia Chunman, Chen Shangwen, Yuan Wenbing

机构信息

Key Laboratory of Tropical Biological Resources of the Ministry of Education, Hainan University, Haikou 570228, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1098. doi: 10.1107/S1600536812009518. Epub 2012 Mar 17.

DOI:10.1107/S1600536812009518
PMID:22589959
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3344050/
Abstract

In the title compound, C(10)H(11)NO(4)·H(2)O, the carboxyl group is twisted at a dihedral angle of 6.1 (3)° with respect to the benzene ring. In the crystal, the organic mol-ecules are linked by pairs of O-H⋯O hydrogen bonds involving both carboxyl groups, forming zigzag chains propagating along the b-axis direction. The water mol-ecules form [100] chains linked by O-H⋯O hydrogen bonds. The organic mol-ecule and water chains are cross-linked by N-H⋯O(water) and O(water)-H⋯O hydrogen bonds, generating (001) sheets.

摘要

在标题化合物C₁₀H₁₁NO₄·H₂O中,羧基相对于苯环扭转的二面角为6.1 (3)°。在晶体中,有机分子通过涉及两个羧基的O—H⋯O氢键对相连,形成沿b轴方向延伸的锯齿链。水分子通过O—H⋯O氢键形成[100]链。有机分子链和水分子链通过N—H⋯O(水)和O(水)—H⋯O氢键交联,形成(001)层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b1be/3344050/2b03fe35f437/e-68-o1098-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b1be/3344050/5854e760d51b/e-68-o1098-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b1be/3344050/2b03fe35f437/e-68-o1098-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b1be/3344050/5854e760d51b/e-68-o1098-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b1be/3344050/2b03fe35f437/e-68-o1098-fig2.jpg

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