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Crystal structure and Hirshfeld surface analysis of 5-acetyl-2-amino-4-(4-bromo-phen-yl)-6-oxo-1-phenyl-1,4,5,6-tetra-hydro-pyridine-3-carbo-nitrile.

Ibrahim G MamedovVictor N KhrustalevMehmet AkkurtAnton P NovikovAyten R AsgarovaKhatira N AliyevaAnzurat A Akobirshoeva
Published in: Acta crystallographica. Section E, Crystallographic communications (2022)
The crystal structure of the title compound, C 20 H 16 BrN 3 O 2 , was determined using an inversion twin. Its asymmetric unit comprises two crystallographically independent mol-ecules ( A and B ) being the stereoisomers. Both mol-ecules are linked by pairs of N-H⋯O hydrogen bonds, forming a dimer with an R 2 2 (16) ring motif. The dimers are connected by further N-H⋯O and N-H⋯N hydrogen bonds, forming chains along the c- axis direction·C-Br⋯π inter-actions between these chains contribute to the stabilization of the mol-ecular packing. Hirshfeld surface analysis showed that the most important contributions to the crystal packing are from H⋯H, C⋯H/H⋯C, O⋯H/H⋯O, Br⋯H/H⋯Br and N⋯H/H⋯N inter-actions.
Keyphrases
  • crystal structure
  • solid state
  • visible light
  • magnetic resonance