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2-[(2-羟基-4-甲氧基亚苄基)氮鎓基]苯甲酸一水合物

2-[(2-Hy-droxy-4-meth-oxy-benzyl-idene)aza-nium-yl]benzoate monohydrate.

作者信息

Hang Zhi-Xi, Dong Bo, Wang Xing-Wen

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 26;66(Pt 7):o1776. doi: 10.1107/S1600536810023949.

DOI:10.1107/S1600536810023949
PMID:21587989
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3006953/
Abstract

In the title compound, C(15)H(13)NO(4)·H(2)O, the Schiff base exists in a zwitterionic form and a bifurcated intra-molecular N-H⋯(O,O) hydrogen bond generates two S(6) rings. The dihedral angle between the two benzene rings is 25.8 (2)°. The crystal structure is stabilized by inter-molecular O-H⋯O hydrogen bonds.

摘要

在标题化合物C₁₅H₁₃NO₄·H₂O中，席夫碱以两性离子形式存在，一个分叉的分子内N-H⋯(O,O)氢键形成两个S(6)环。两个苯环之间的二面角为25.8 (2)°。晶体结构通过分子间O-H⋯O氢键得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2960/3006953/8b813ed17aee/e-66-o1776-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2960/3006953/98f4f770261e/e-66-o1776-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2960/3006953/8b813ed17aee/e-66-o1776-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2960/3006953/98f4f770261e/e-66-o1776-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2960/3006953/8b813ed17aee/e-66-o1776-fig2.jpg

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