Pérez-Fehrmann Marcia, Kesternich Victor, Verdugo Felipe, Christen Philippe, Besnard Céline
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2249. doi: 10.1107/S1600536812028115. Epub 2012 Jun 30.
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.
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。