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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...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2022
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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 |
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. |
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