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1,1'-(丁烷-1,4-二基)二-1H-咪唑-苯-1,3,5-三醇-水(1/1/1)

1,1'-(Butane-1,4-diyl)di-1H-imidazole-benzene-1,3,5-triol-water (1/1/1).

作者信息

Gao Jin-Sheng, Yu Ying-Hui, Hou Guang-Feng

机构信息

College of Chemistry and Materials Science, Heilongjiang University, Harbin 150080, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 19;64(Pt 8):o1560. doi: 10.1107/S160053680802240X.

DOI:10.1107/S160053680802240X
PMID:21203263
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2962182/
Abstract

The asymmetric unit of the title compound, C(10)H(14)N(4)·C(6)H(6)O(3)·H(2)O, contains one mol-ecule of benzene-1,3,5-triol, two half-molecules of 1,1'-butane-1,4-diyldi-1H-imidazole (each molecule is centrosymmetric) and one solvent water mol-ecule. In the crystal structure, inter-molecular O-H⋯O and O-H⋯N hydrogen bonds link all mol-ecules into a three-dimensional supra-molecular network.

摘要

标题化合物C(10)H(14)N(4)·C(6)H(6)O(3)·H(2)O的不对称单元包含一个苯-1,3,5-三醇分子、两个1,1'-丁烷-1,4-二亚基二-1H-咪唑的半分子(每个分子是中心对称的)和一个溶剂水分子。在晶体结构中,分子间的O-H⋯O和O-H⋯N氢键将所有分子连接成一个三维超分子网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fb0e/2962182/c0856d672468/e-64-o1560-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fb0e/2962182/5f7ab6c1aadf/e-64-o1560-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fb0e/2962182/c0856d672468/e-64-o1560-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fb0e/2962182/5f7ab6c1aadf/e-64-o1560-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fb0e/2962182/c0856d672468/e-64-o1560-fig2.jpg

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A short history of SHELX.SHELX简史。
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