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1,3-双(丙-2-炔基)-1H-1,3-苯并咪唑-2(3H)-酮

1,3-Bis(prop-2-yn-yl)-1H-1,3-benzimid-azol-2(3H)-one.

作者信息

Ouzidan Younes, Kandri Rodi Youssef, Jasinski Jerry P, Butcher Raymond J, Golen James A, El Ammari Lahcen

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1091. doi: 10.1107/S1600536811012578. Epub 2011 Apr 13.

DOI:10.1107/S1600536811012578
PMID:21754411
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3089259/
Abstract

In the title compound, C(13)H(10)N(2)O, the fused-ring system is essentially planar, the largest deviation from the mean plane being 0.015 (1) Å. The two propynyl groups are nearly perpendicular to the benzimidazole plane, making dihedral angles of 85 (3) and 80 (2) °, and point in opposite directions. There are two short inter-molecular C-H⋯O contacts to the carbonyl O atom, one involving the acetyl-enic H atom and the other a H atom of the methyl-ene group.

摘要

在标题化合物C₁₃H₁₀N₂O中,稠环体系基本呈平面状,与平均平面的最大偏差为0.015 (1) Å。两个丙炔基几乎垂直于苯并咪唑平面,二面角分别为85 (3)°和80 (2)°,且方向相反。存在两个与羰基O原子的短分子间C—H⋯O接触,一个涉及乙炔基H原子,另一个涉及亚甲基的H原子。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e6c/3089259/2668033ce93d/e-67-o1091-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e6c/3089259/abd9df8d762a/e-67-o1091-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e6c/3089259/2668033ce93d/e-67-o1091-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e6c/3089259/abd9df8d762a/e-67-o1091-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e6c/3089259/2668033ce93d/e-67-o1091-fig2.jpg

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