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2-[4-(4,5-二氢-1H-吡咯-2-基)苯基]-4,5-二氢-1H-咪唑

2-[4-(4,5-Dihydro-1H-pyrrol-2-yl)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. 2008 Nov 22;64(Pt 12):o2406. doi: 10.1107/S160053680803818X.

DOI:10.1107/S160053680803818X
PMID:21581375
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2960053/
Abstract

The mol-ecule of the title compound, C(12)H(14)N(4), lies about a crystallographic inversion centre. The five- and six-membered rings are twisted from each other, forming a dihedral angle of 18.06 (7)°. In the crystal structure, neighbouring mol-ecules are linked by inter-molecular N-H⋯N hydrogen bonds into one-dimensional infinite chains forming 18-membered rings with R(2) (2)(18) motifs. The crystal structure is further stabilized by weak inter-molecular π-π stacking [centroid-centroid distance = 3.8254 (6) Å] and C-H⋯π inter-actions.

摘要

标题化合物C(12)H(14)N(4)的分子位于一个晶体学反演中心上。五元环和六元环相互扭曲，形成的二面角为18.06 (7)°。在晶体结构中，相邻分子通过分子间N-H⋯N氢键连接成一维无限链，形成具有R(2) (2)(18) motif的18元环。晶体结构通过弱分子间π-π堆积[质心-质心距离 = 3.8254 (6) Å]和C-H⋯π相互作用进一步稳定。

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