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5-[4-(1H-咪唑-1-基)苯基]-1H-四唑

5-[4-(1H-Imidazol-1-yl)phen-yl]-1H-tetra-zole.

作者信息

Tong Shao-Wei, Song Wen-Dong, Li Shi-Jie, Miao Dong-Liang, An Jing-Bo

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 May 1;68(Pt 5):o1274. doi: 10.1107/S1600536812013670. Epub 2012 Apr 4.

DOI:10.1107/S1600536812013670
PMID:22590189
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3344427/
Abstract

In the title compound, C(10)H(8)N(6), the tetra-zole and benzene rings are close to being coplanar [dihedral angle = 9.90 (16)°], but the imidazole ring is rotated 37.18 (09)° out of the benzene plane. In the crystal, mol-ecules are connected through tetra-zole-imidazole N-H⋯N hydrogen bonds, giving rise to zigzag chains, which extend along [010].

摘要

在标题化合物C₁₀H₈N₆中，四唑环和苯环几乎共面[二面角 = 9.90 (16)°]，但咪唑环相对于苯平面旋转了37.18 (09)°。在晶体中，分子通过四唑-咪唑N-H⋯N氢键相连，形成之字形链，这些链沿[010]方向延伸。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d114/3344427/e5d906fe3e62/e-68-o1274-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d114/3344427/cf083855e474/e-68-o1274-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d114/3344427/e5d906fe3e62/e-68-o1274-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d114/3344427/cf083855e474/e-68-o1274-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d114/3344427/e5d906fe3e62/e-68-o1274-fig2.jpg

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本文引用的文献

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Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):m433-4. doi: 10.1107/S1600536812010446. Epub 2012 Mar 17.
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Diaqua-bis-(5-carb-oxy-2-propyl-1H-imidazole-4-carboxyl-ato-κN,O)cadmium N,N-dimethyl-formamide disolvate.二水合双（5-羧基-2-丙基-1H-咪唑-4-羧酸根合-κN,O）镉N,N-二甲基甲酰胺溶剂化物
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Tetra-aqua-bis-{5-[4-(imidazol-1-yl-κN)phen-yl]tetra-zolido}manganese(II).
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