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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

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 mol­ecules (A and B) being the stereoisomers. Both mol­ecules are linked by pairs of N—H⋯O hydrogen bonds, forming a dimer wit...

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Detalles Bibliográficos
Autores principales: Mamedov, Ibrahim G., Khrustalev, Victor N., Akkurt, Mehmet, Novikov, Anton P., Asgarova, Ayten R., Aliyeva, Khatira N., Akobirshoeva, Anzurat A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8900508/
https://www.ncbi.nlm.nih.gov/pubmed/35371550
http://dx.doi.org/10.1107/S2056989022001232
Descripción
Sumario: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 mol­ecules (A and B) being the stereoisomers. Both mol­ecules 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 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⋯H, C⋯H/H⋯C, O⋯H/H⋯O, Br⋯H/H⋯Br and N⋯H/H⋯N inter­actions.