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
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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.
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
Acta Crystallographica Section E
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DescriptionHSY is grateful to the UGC, New Delhi for the award of a BSR Faculty Fellowship for three years.
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