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

The crystal structure of the title compound, C20H16BrN3O2, was determined using an inversion twin. Its asymmetric unit comprises two crystallographically independent molecules (A and B) being the stereoisomers. Both molecules are linked by pairs of N -H center dot center dot center dot O hydrogen bonds, forming a dimer with an R-2(2)(16) ring motif. The dimers are connected by further N -H center dot center dot center dot O and N-H center dot center dot center dot N hydrogen bonds, forming chains along the c-axis direction center dot C-Br center dot center dot center dot pi interactions between these chains contribute to the stabilization of the molecular packing. Hirshfeld surface analysis showed that the most important contributions to the crystal packing are from H center dot center dot center dot H, C center dot center dot center dot H/H center dot center dot center dot C, O center dot center dot center dot H/H center dot center dot center dot O, Br center dot center dot center dot H/H center dot center dot center dot Br and N center dot center dot center dot H/H center dot center dot center dot N interactions.

Automated summary

The crystal structure of a compound has been determined, revealing the formation of dimers and chains. Hirshfeld surface analysis highlights the key interactions in the crystal packing.