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4-（4-羟基苯甲酰基）苯酚一水合物。

4-(4-Hydroxybenzoyl)phenol mono-hydrate.

作者信息

Li He-Ping, Yang Yun-Xia, Ng Seik Weng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 20;66(Pt 11):o2867. doi: 10.1107/S1600536810041425.

DOI:10.1107/S1600536810041425
PMID:21589049
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3009157/
Abstract

The aromatic rings of the title compound, C(13)H(10)O(3)·H(2)O, are aligned at dihedral angles of 20.6 (1) and 40.8 (1)° with respect to the triangular C(ar-yl)-C(=O)-C(ar-yl) fragment. The hy-droxy groups are each hydrogen-bond donors to separate water mol-ecules, the water mol-ecule itself being hydrogen-bonded to one hy-droxy group and one carbonyl group. The water mol-ecule exists in an unusual four-coordinate environment in the resulting layer structure.

摘要

标题化合物C(13)H(10)O(3)·H(2)O的芳环相对于三角形的C(芳基)-C(=O)-C(芳基)片段以20.6 (1)°和40.8 (1)°的二面角排列。每个羟基都是与不同水分子形成氢键的供体，水分子本身与一个羟基和一个羰基形成氢键。在所得的层状结构中，水分子存在于一种不寻常的四配位环境中。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/13e5/3009157/10bcf2c0d2de/e-66-o2867-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/13e5/3009157/7157ef5888ba/e-66-o2867-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/13e5/3009157/10bcf2c0d2de/e-66-o2867-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/13e5/3009157/7157ef5888ba/e-66-o2867-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/13e5/3009157/10bcf2c0d2de/e-66-o2867-fig2.jpg

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