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2-（3-氯苯基）-4,5-二氢-1H-咪唑

2-(3-Chloro-phen-yl)-4,5-dihydro-1H-imidazole.

作者信息

Kia Reza, Fun Hoong-Kun, Kargar Hadi

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 17;65(Pt 2):o338-9. doi: 10.1107/S1600536809001214.

DOI:10.1107/S1600536809001214
PMID:21581940
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968295/
Abstract

In the title compound, C(9)H(9)ClN(2), a substituted imidazoline, the six- and five-membered rings are twisted from each other, making a dihedral angle of 17.07 (5)°. In the crystal structure, a short Cl⋯Cl [3.3540 (3) Å] inter-action is observed. Neighbouring mol-ecules are linked together by inter-molecular N-H⋯N hydrogen bonds into a one-dimensional infinite chain along the [101] direction and short Cl⋯Cl contacts link the chains into a three-dimensional network. There is also a significant π-stacking inter-action between the planar sections of the six- and five-membered rings.

摘要

在标题化合物C₉H₉ClN₂（一种取代咪唑啉）中，六元环和五元环相互扭曲，二面角为17.07（5）°。在晶体结构中，观察到短的Cl⋯Cl [3.3540（3）Å]相互作用。相邻分子通过分子间N-H⋯N氢键沿[101]方向连接成一维无限链，短的Cl⋯Cl接触将这些链连接成三维网络。六元环和五元环的平面部分之间还存在显著的π-堆积相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d4f5/2968295/3861ec4bf3a8/e-65-0o338-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d4f5/2968295/15c49e713975/e-65-0o338-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d4f5/2968295/3861ec4bf3a8/e-65-0o338-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d4f5/2968295/15c49e713975/e-65-0o338-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d4f5/2968295/3861ec4bf3a8/e-65-0o338-fig2.jpg

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