5,7-二苯基-4,7-二氢-四唑并[1,5-a]嘧啶的晶体结构
Crystal structure of 5,7-diphenyl-4,7-di-hydro-tetra-zolo[1,5-a]pyrimidine.
作者信息
Price Ivy K, Rougeot Celine, Hein Jason E
机构信息
Chemistry and Chemical Biology, University of California, Merced, 5200 North Lake Road, Merced, CA 95343, USA.
出版信息
Acta Crystallogr E Crystallogr Commun. 2015 Feb 21;71(Pt 3):o192. doi: 10.1107/S2056989015002984. eCollection 2015 Mar 1.
Abstract
In the title mol-ecule, C16H13N5, the plane of the tetra-zole ring forms dihedral angles of 16.37 (7) and 76.59 (7)° with the two phenyl rings. The dihedral angle between the phenyl rings is 68.05 (6)°. The pyrimidine ring is in a flattened boat conformation. In the crystal, mol-ecules are linked by pairs of N-H⋯N hydrogen bonds, forming inversion dimers.
摘要
在标题分子C₁₆H₁₃N₅中，四唑环平面与两个苯环形成的二面角分别为16.37（7）°和76.59（7）°。苯环之间的二面角为68.05（6）°。嘧啶环呈扁平船式构象。在晶体中，分子通过N - H⋯N氢键对相连，形成反演二聚体。
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