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4-（1H-四唑-5-基）苯甲酸一水合物

4-(1H-Tetra-zol-5-yl)benzoic acid monohydrate.

作者信息

Li Guo-Qing, Wu A-Qing, Li Yan, Zheng Fa-Kun, Guo Guo-Cong

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 28;64(Pt 7):o1368. doi: 10.1107/S1600536808019053.

DOI:10.1107/S1600536808019053
PMID:21202986
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2961711/
Abstract

The asymmetric unit of the title compound, C(8)H(6)N(4)O(2)·H(2)O, consists of one 4-(1H-tetra-zol-5-yl)benzoic acid mol-ecule and one water mol-ecule. Hydrogen-bonding and π-π stacking (centroid-centroid distance between tetra-zole and benzene rings = 3.78 Å) inter-actions link the mol-ecules into a three-dimensional network.

摘要

标题化合物C(8)H(6)N(4)O(2)·H(2)O的不对称单元由一个4-(1H-四唑-5-基)苯甲酸分子和一个水分子组成。氢键和π-π堆积作用（四唑环与苯环之间的质心-质心距离 = 3.78 Å）将分子连接成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6251/2961711/b0203b0dad0a/e-64-o1368-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6251/2961711/67e77f8104b8/e-64-o1368-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6251/2961711/2a91dad6934a/e-64-o1368-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6251/2961711/b0203b0dad0a/e-64-o1368-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6251/2961711/67e77f8104b8/e-64-o1368-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6251/2961711/2a91dad6934a/e-64-o1368-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6251/2961711/b0203b0dad0a/e-64-o1368-fig3.jpg

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