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4-[4-(1H-咪唑-4-基)苯基]-1H-咪唑

4-[4-(1H-Imidazol-4-yl)phen-yl]-1H-imidazole.

作者信息

Wang Qian, Zhao Xiao-Li

机构信息

Shanghai Key Laboratory of Green Chemistry and Chemical Processes, Department of Chemistry, East China Normal University, 3663 North Zhongshan Road, Shanghai 200062, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2618. doi: 10.1107/S1600536812032485. Epub 2012 Aug 1.

DOI:10.1107/S1600536812032485
PMID:22969520
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3435647/
Abstract

In the mol-ecule of the title compound, C(12)H(10)N(4), the two imidazole substituents are related by inversion symmetry and each forms a dihedral angle of 25.02 (8)° with the benzene ring. In the crystal, mol-ecules are linked through N-H⋯N hydrogen bonds, forming cyclic units [graph-set R(4) (4)(28)], which generate a layered structure extending across (011).

摘要

在标题化合物C₁₂H₁₀N₄的分子中，两个咪唑取代基通过反演对称性相关，且每个与苯环形成的二面角为25.02 (8)°。在晶体中，分子通过N—H⋯N氢键相连，形成环状单元[图式R(4) (4)(28)]，这些单元产生一个沿(011)方向延伸的层状结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/84d5/3435647/af38049c75ef/e-68-o2618-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/84d5/3435647/6f75ca04fc2f/e-68-o2618-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/84d5/3435647/af38049c75ef/e-68-o2618-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/84d5/3435647/6f75ca04fc2f/e-68-o2618-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/84d5/3435647/af38049c75ef/e-68-o2618-fig2.jpg

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本文引用的文献

1
2-Methyl-3-(1H-pyrazol-3-yl)imidazo[1,2-a]pyrimidine.2-甲基-3-(1H-吡唑-3-基)咪唑并[1,2-a]嘧啶
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o1977. doi: 10.1107/S1600536812024166. Epub 2012 Jun 2.
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A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
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Graph-set analysis of hydrogen-bond patterns in organic crystals.有机晶体中氢键模式的图形集分析。
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