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2-[3-(1H-苯并咪唑-2-基)丙基]-1-癸基-1H-苯并咪唑

2-[3-(1H-Benzimidazol-2-yl)prop-yl]-1-decyl-1H-benzimidazole.

作者信息

Ennajih Hamid, Bouhfid Rachid, Essassi El Mokhtar, Ng Seik Weng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):o2544. doi: 10.1107/S160053681103501X. Epub 2011 Aug 31.

DOI:10.1107/S160053681103501X
PMID:22064906
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3200644/
Abstract

The asymmetric unit of the title compound, C(27)H(36)N(4), contains two independent mol-ecules. Except for the atoms of the decyl chain, the non-H atoms of each mol-ecule are approximately coplanar (r.m.s. deviations = 0.075 and 0.164 Å) and the -CH(2)CH(2)CH(2)- link connecting the two benzimidazolyl fused-ring systems is slightly opened up at the middle C atom. The decyl substituent adopts an extended zigzag conformation in both mol-ecules. In the crystal, adjacent mol-ecules inter-act by N-H⋯N hydrogen bonds, generating a chain parallel to the c axis.

摘要

标题化合物C(27)H(36)N(4)的不对称单元包含两个独立分子。除癸基链的原子外,每个分子的非H原子近似共面(均方根偏差分别为0.075和0.164 Å),连接两个苯并咪唑稠环系统的-CH(2)CH(2)CH(2)-链在中间C原子处略有张开。癸基取代基在两个分子中均采用伸展的锯齿构象。在晶体中,相邻分子通过N-H⋯N氢键相互作用,形成平行于c轴的链。

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本文引用的文献

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A short history of SHELX.SHELX简史。
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