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5-硝基-1-壬基-1H-苯并咪唑-2(3H)-酮

5-Nitro-1-nonyl-1H-benzimidazol-2(3H)-one.

作者信息

Ouzidan Younes, Kandri Rodi Youssef, Essassi El Mokhtar, El Ammari Lahcen, Fronczek Frank R, Venkatraman Ramaiyer

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Feb 19;67(Pt 3):o669. doi: 10.1107/S1600536811005654.

DOI:10.1107/S1600536811005654
PMID:21522418
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3052022/
Abstract

In the title mol-ecule, C(16)H(23)N(3)O(3), the dihedral angle between the benzimidazole and nitro group planes is 5.34 (9)° and the dihedral angle between the benzimidazole and aliphatic chain mean planes is 73.23 (5)°. The C-C-C-C torsion angles (about 176°) of the nonyl group indicate an all-anti-periplanar conformation. In the crystal, adjacent mol-ecules are linked by pairs of N-H⋯O hydrogen bonds into inversion dimers. These mol-ecules are further connected through C-H⋯O inter-actions, building tapes parallel to (22).

摘要

在标题分子C(16)H(23)N(3)O(3)中,苯并咪唑平面与硝基平面之间的二面角为5.34 (9)°,苯并咪唑平面与脂肪族链平均平面之间的二面角为73.23 (5)°。壬基的C-C-C-C扭转角(约176°)表明其为全反式-邻位交叉构象。在晶体中,相邻分子通过N-H⋯O氢键对连接成反演二聚体。这些分子通过C-H⋯O相互作用进一步连接,形成平行于(22)的链带。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a8bd/3052022/e0358c5b09f0/e-67-0o669-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a8bd/3052022/e074920b81f9/e-67-0o669-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a8bd/3052022/e0358c5b09f0/e-67-0o669-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a8bd/3052022/e074920b81f9/e-67-0o669-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a8bd/3052022/e0358c5b09f0/e-67-0o669-fig2.jpg

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