L. Chen, C. -. Yang, Y. Xu
Mar 1, 2021
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Journal
Journal of Structural Chemistry
Abstract
Abstract Title compound ( E )-1-(4-(4-bromobenzyl)piperazin-1-yl)-3-(4-chlorophenyl)prop-2-en-1-one ( 5 ) (C 20 H 20 BrClN 2 O, M r = 419.74) is designed, synthesized, and evaluated for its biological activity. Its structure is confirmed by FTIR, 1 H and 13 C NMR, HRMS, and X-ray single crystal diffraction. The structure is stabilized via inter- as well as intra- C–H…O interactions and intra hydrogen bonding C–H…N interactions. The Hirshfeld surface intermolecular interactions are studied using the crystal structure. The maximum surface area of the molecule is occupied by C–H…O interactions. In addition, the biological activity in vitro and in vivo of title compound 5 is also evaluated.