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1-烯丙基-5-硝基-1H-苯并咪唑-2(3H)-酮

1-Allyl-5-nitro-1H-benzimidazol-2(3H)-one.

作者信息

Ouzidan Younès, Kandri Rodi Youssef, Kandri Rodi Adiba, Essassi El Mokhtar, Saadi Mohamed, El Ammari Lahcen

机构信息

Laboratoire de Chimie Organique Appliquée, Université Sidi Mohamed Ben Abdallah, Faculté des Sciences et Techniques, Route d'immouzzer, BP 2202 Fès, Morocco.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 1;69(Pt 3):o431. doi: 10.1107/S1600536813004790. Epub 2013 Feb 23.

DOI:10.1107/S1600536813004790
PMID:23476602
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3588436/
Abstract

The benzimidazolone residue in the title mol-ecule, C10H9N3O3, is almost planar, with the largest deviation from the mean plane being 0.016 (2) Å for the C atom linked to the nitro group. This plane is nearly perpendicular to the 1-allyl chain as indicated by the C-N-C-C torsion angle of 90.9 (3)°. The fused-ring system makes a dihedral angle of 5.6 (3)° with the nitro group, leading to a synperiplanar conformation. In the crystal, zigzag supra-molecular chains are formed along the a axis by N-H⋯O hydrogen bonds.

摘要

标题分子C₁₀H₉N₃O₃中的苯并咪唑酮残基几乎呈平面状,与平均平面偏差最大的是与硝基相连的C原子,偏差为0.016 (2) Å。如C-N-C-C扭转角为90.9 (3)°所示,该平面几乎垂直于1-烯丙基链。稠环体系与硝基的二面角为5.6 (3)°,形成顺叠构象。在晶体中,通过N-H⋯O氢键沿a轴形成锯齿状超分子链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6646/3588436/bc8e3c5e1ddf/e-69-0o431-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6646/3588436/50e278ce3e1f/e-69-0o431-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6646/3588436/bc8e3c5e1ddf/e-69-0o431-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6646/3588436/50e278ce3e1f/e-69-0o431-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6646/3588436/bc8e3c5e1ddf/e-69-0o431-fig2.jpg

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