Crystal structure and Hirshfeld surface analysis of 5-acetyl-2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile

Abstract

The crystal structure of the title compound, C₂₀H₁₆BrN₃O₂, was determined using an inversion twin. Its asymmetric unit comprises two crystallographically independent mol-ecules (<i>A</i> and <i>B</i>) being the stereoisomers. Both mol-ecules are linked by pairs of N-H⋯O hydrogen bonds, forming a dimer with an <i>R</i> ² ₂(16) ring motif. The dimers are connected by further N-H⋯O and N-H⋯N hydrogen bonds, forming chains along the <i>c-</i>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.