The crystal structure of 1-(2-iodo­benzo­yl)-4-(pyrimidin-2-yl)piperazine: a three-dimensional hydrogen-bonded framework, augmented by π–π stacking inter­actions and I⋯N halogen bonds

Mahesha, N. and Yathirajan, H. S. and Furuya, Tetsundo and Akitsu, Takashiro and Glidewell, Christopher (2019) The crystal structure of 1-(2-iodo­benzo­yl)-4-(pyrimidin-2-yl)piperazine: a three-dimensional hydrogen-bonded framework, augmented by π–π stacking inter­actions and I⋯N halogen bonds. Acta Crystallographica Section E, 75 (2). pp. 129-133. ISSN 1600-5368

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Official URL: https://doi.org/10.1107/S205698901801811X

Abstract

In 1-(2-iodo­benzo­yl)-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 mol­ecules into a complex three-dimensional network structure, augmented by a π–π stacking inter­action and an I⋯N halogen bond, all involving different pairs of inversion-related mol­ecules. Comparisons are made with the structures of a number of related compounds.

Item Type: Article
Uncontrolled Keywords: pyrimidine, piperazine, crystal structure, molecular conformation, hydrogen bonding, supramolecular assembly
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: MUL SWAPNA user
Date Deposited: 12 Oct 2019 08:41
Last Modified: 12 Oct 2019 08:41
URI: http://eprints.uni-mysore.ac.in/id/eprint/8945

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