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2-氯-4-硝基-1H-咪唑

2-Chloro-4-nitro-1H-imidazole.

作者信息

Fun Hoong-Kun, Goh Jia Hao, Chandrakantha B, Isloor Arun M, Shetty Prakash

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 26;66(Pt 7):o1828-9. doi: 10.1107/S1600536810024542.

DOI:10.1107/S1600536810024542
PMID:21588034
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3006860/
Abstract

The mol-ecule of the title compound, C(3)H(2)ClN(3)O(2), is almost planar; the dihedral angle between the imidazole ring and the nitro group is 1.7 (2)°. In the crystal structure, pairs of inter-molecular C-H⋯O hydrogen bonds link inversion-related mol-ecules into dimers, generating R(2) (2)(10) ring motifs. The dimers are inter-connected into two-dimensional networks parallel to (102) via inter-molecular N-H⋯N hydrogen bonds. Further stabilization is provided by short inter-molecular Cl⋯O inter-actions [3.142 (2) and 3.1475 (19) Å].

摘要

标题化合物C(3)H(2)ClN(3)O(2)的分子几乎是平面的;咪唑环与硝基之间的二面角为1.7 (2)°。在晶体结构中,分子间的C-H⋯O氢键对将反转相关的分子连接成二聚体,形成R(2) (2)(10)环模式。二聚体通过分子间的N-H⋯N氢键相互连接成平行于(102)的二维网络。短的分子间Cl⋯O相互作用[3.142 (2)和3.1475 (19) Å]提供了进一步的稳定性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b3e8/3006860/f2047c2b2bcf/e-66-o1828-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b3e8/3006860/a9f122639988/e-66-o1828-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b3e8/3006860/f2047c2b2bcf/e-66-o1828-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b3e8/3006860/a9f122639988/e-66-o1828-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b3e8/3006860/f2047c2b2bcf/e-66-o1828-fig2.jpg

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