1-(2-碘苯甲酰基)-4-(嘧啶-2-基)哌嗪的晶体结构：一个三维氢键框架，通过π-π堆积相互作用和I⋯N卤键得到增强。

The crystal structure of 1-(2-iodo-benzo-yl)-4-(pyrimidin-2-yl)piperazine: a three-dimensional hydrogen-bonded framework, augmented by π-π stacking inter-actions and I⋯N halogen bonds.

作者信息

Mahesha Ninganayaka, Yathirajan Hemmige S, Furuya Tetsundo, Akitsu Takashiro, Glidewell Christopher

机构信息

Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysuru-570 006, India.

Department of Chemistry, Faculty of Science, Tokyo University of Science, 1-3 Kagurazaka, Shinjuku-ku, Tokyo 162-8601, Japan.

出版信息

Acta Crystallogr E Crystallogr Commun. 2019 Jan 4;75(Pt 2):129-133. doi: 10.1107/S205698901801811X. eCollection 2019 Feb 1.

In 1-(2-iodo-benzo-yl)-4-(pyrimidin-2-yl)piperazine, CHINO, the central piperazine ring adopts an almost perfect chair conformation with the pyrimidine substituent in an equatorial site. The planar amide unit makes a dihedral angle of 80.44 (7)° with the phenyl ring. A combination of C-H⋯O and C-H⋯π(arene) hydrogen bonds links the mol-ecules into a complex three-dimensional network structure, augmented by a π-π stacking inter-action and an I⋯N halogen bond, all involving different pairs of inversion-related mol-ecules. Comparisons are made with the structures of a number of related compounds.