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（E）-1-（2,4-二羟基苯基）-3-（4-羟基苯基）丙-2-烯-1-酮一水合物

(E)-1-(2,4-Dihy-droxy-phen-yl)-3-(4-hydroxy-phen-yl)prop-2-en-1-one monohydrate.

作者信息

Wang Jian-Guo, Wu Lin, Zhong Chan-Juan, Ouyang Zhao-Hui, Yi De-Lian

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Feb 26;67(Pt 3):o732. doi: 10.1107/S1600536811006271.

DOI:10.1107/S1600536811006271
PMID:21522472
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3052009/
Abstract

In the title compound, C(15)H(12)O(4)·H(2)O, the two benzene rings are not coplanar, making a dihedral angle of 7.24 (16)°. An intra-molecular hy-droxy-carbonyl O-H⋯O hydrogen bond occurs. In the crystal, four inter-molecular O-H⋯O hydrogen bonds involving the hy-droxy residues, the carbonyl group and the water mol-ecule lead to the formation of a three-dimensional network. The supra-molecular structure is further stabilized by weak C-H⋯O inter-actions.

摘要

在标题化合物C₁₅H₁₂O₄·H₂O中，两个苯环不共面，二面角为7.24 (16)°。分子内存在羟基 - 羰基O - H⋯O氢键。在晶体中，涉及羟基残基、羰基和水分子的四个分子间O - H⋯O氢键导致形成三维网络。超分子结构通过弱C - H⋯O相互作用进一步稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/343e/3052009/da957db313ae/e-67-0o732-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/343e/3052009/80e26a8986ae/e-67-0o732-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/343e/3052009/da957db313ae/e-67-0o732-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/343e/3052009/80e26a8986ae/e-67-0o732-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/343e/3052009/da957db313ae/e-67-0o732-fig2.jpg

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