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

1-(2-碘苯甲基)-4-(嘧啶-2-基)哌嗪的晶体结构:三维氢键框架,通过 π-π 堆积相互作用和 I⋯N 卤素键增强

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

Abstract

In 1-(2-iodo-benzo-yl)-4-(pyrimidin-2-yl)piperazine, C15H15IN4O, 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.

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