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2-(4-溴苯基)-N-[3-(1H-咪唑-1-基)丙基]喹唑啉-4-胺

2-(4-Bromo-phen-yl)-N-[3-(1H-imidazol-1-yl)prop-yl]quinazolin-4-amine.

作者信息

Pérez-Fehrmann Marcia, Kesternich Victor, Verdugo Felipe, Christen Philippe, Besnard Céline

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2249. doi: 10.1107/S1600536812028115. Epub 2012 Jun 30.

Abstract

In the title compound, C(20)H(18)BrN(5), the bromo-phenyl-substituted quinazoline unit is essentially planar [maximum deviation = 0.098 (3) Å] and makes a dihedral angle of 56.04 (14)° with the imidazole ring. In the crystal, mol-ecules are associated by pairs of N-H⋯N hydrogen bonds to form inversion dimers. All the quinazoline planar systems are oriented almost perpendicular to the [110] direction, making π-π inter-actions possible between adjacent dimers [centroid-centroid distances = 3.7674 (16) and 3.7612 (17) Å]. There are also a number of C-H⋯π inter-actions present. The crystal is a nonmerohedral twin, with a minor twin fraction of 0.47.

摘要

在标题化合物C₂₀H₁₈BrN₅中,溴苯基取代的喹唑啉单元基本呈平面状[最大偏差 = 0.098 (3) Å],与咪唑环形成56.04 (14)°的二面角。在晶体中,分子通过N-H⋯N氢键对相互关联形成反演二聚体。所有喹唑啉平面体系几乎垂直于[110]方向取向,使得相邻二聚体之间可能存在π-π相互作用[质心-质心距离 = 3.7674 (16) 和3.7612 (17) Å]。还存在一些C-H⋯π相互作用。该晶体为非等轴孪晶,次要孪晶分数为0.47。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/81bd/3394037/8aaa661eb4b9/e-68-o2249-fig1.jpg

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