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
Abstract
In 1-(2-iodobenzoyl)-4-(pyrimidin-2-yl)piperazine, C15H 15IN 4O, 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.
Citation
Mahesha , N , Yathirajan , H S , Furuya , T , Akitsu , T & Glidewell , C 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 , vol. 75 , no. 2 , pp. 129-133 . https://doi.org/10.1107/S205698901801811X
Publication
Acta Crystallographica Section E
Status
Peer reviewed
ISSN
2056-9890Type
Journal article
Rights
Copyright © 2019 The Author(s). This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
Description
HSY is grateful to the UGC, New Delhi for the award of a BSR Faculty Fellowship for three years.Collections
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