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5-（4-氯苯基）-1H-四唑

5-(4-Chloro-phen-yl)-1H-tetra-zole.

作者信息

Xu Liang, Gu Li-Yan, Zhao Dan-Yu, Wang Bing, Kang Ting-Guo

机构信息

College of Pharmacy, Liaoning University of Traditional Chinese Medicine, Dalian 116600, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Mar 3;66(Pt 4):o742. doi: 10.1107/S1600536810003788.

DOI:10.1107/S1600536810003788
PMID:21580587
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2983818/
Abstract

The two independent mol-ecules of the title compound, C(7)H(5)ClN(4), both lie on a twofold rotation axis that passes through the centroids of the five- and six-membered rings and the attached Cl C atom. One molecule is nearly planar [dihedral angle between rings = 0.22 (6)°], whereas the other is significantly twisted [dihedral angle = 17.38 (6)°]. In the crystal, adjacent mol-ecules are linked by N-H⋯N hydrogen bonds into a chain structure.

摘要

标题化合物C₇H₅ClN₄的两个独立分子均位于一条二重旋转轴上，该轴穿过五元环和六元环的质心以及连接的Cl C原子。一个分子几乎是平面的[环之间的二面角 = 0.22 (6)°]，而另一个则明显扭曲[二面角 = 17.38 (6)°]。在晶体中，相邻分子通过N—H⋯N氢键连接成链状结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1bf7/2983818/a6dd138d6e58/e-66-0o742-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1bf7/2983818/2762588c4981/e-66-0o742-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1bf7/2983818/a6dd138d6e58/e-66-0o742-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1bf7/2983818/2762588c4981/e-66-0o742-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1bf7/2983818/a6dd138d6e58/e-66-0o742-fig2.jpg

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