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（E）-N'-苄叉基-1-甲基-4-硝基-1H-吡咯-2-碳酰肼的晶体结构

Crystal structure of (E)-N'-benzyl-idene-1-methyl-4-nitro-1H-pyrrole-2-carbohydrazide.

作者信息

Wang Zhijun, Zhou Chengyong, Yan Lei, Wang Jinglin

机构信息

Department of Chemistry, Changzhi University, Changzhi, Shanxi 046011, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Aug 13;70(Pt 9):o995. doi: 10.1107/S1600536814018054. eCollection 2014 Sep 1.

DOI:10.1107/S1600536814018054
PMID:25309299
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4186152/
Abstract

In the title compound, C13H12N4O3, the dihedral angle between the planes of the pyrrole and benzene rings is 7.47 (1)°. In the crystal, mol-ecules are arranged in sheets lying parallel to (101). Neighbouring sheets are linked by N-H⋯O hydrogen bonds, weak π-π [centroid-centroid distance between the pyrrole rings = 3.765 (11) Å] and C-H⋯π inter-actions, forming a three-dimensional structure.

摘要

在标题化合物C₁₃H₁₂N₄O₃中，吡咯环和苯环平面之间的二面角为7.47 (1)°。在晶体中，分子排列成平行于(101)的片层。相邻片层通过N-H⋯O氢键、弱π-π相互作用（吡咯环之间的质心-质心距离 = 3.765 (11) Å）和C-H⋯π相互作用相连，形成三维结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a3f0/4186152/fcd2b86d88bb/e-70-0o995-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a3f0/4186152/aecf311acc7d/e-70-0o995-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a3f0/4186152/4679698ef7d7/e-70-0o995-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a3f0/4186152/842c93cb8f64/e-70-0o995-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a3f0/4186152/fcd2b86d88bb/e-70-0o995-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a3f0/4186152/aecf311acc7d/e-70-0o995-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a3f0/4186152/4679698ef7d7/e-70-0o995-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a3f0/4186152/842c93cb8f64/e-70-0o995-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a3f0/4186152/fcd2b86d88bb/e-70-0o995-fig4.jpg

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