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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.

ABSTRACT: The crystal structure of the title compound, C20H16BrN3O2, 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.

SUBMITTER: Mamedov IG 

PROVIDER: S-EPMC8900508 | biostudies-literature | 2022 Feb

REPOSITORIES: biostudies-literature

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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.

Mamedov Ibrahim G IG   Khrustalev Victor N VN   Akkurt Mehmet M   Novikov Anton P AP   Asgarova Ayten R AR   Aliyeva Khatira N KN   Akobirshoeva Anzurat A AA  

Acta crystallographica. Section E, Crystallographic communications 20220203 Pt 3

The crystal structure of the title compound, C<sub>20</sub>H<sub>16</sub>BrN<sub>3</sub>O<sub>2</sub>, 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> <sup>2</sup> <sub>2</sub>(16) ring motif. The dimers are connected by further N-H⋯O and N-H⋯N hydrogen bonds, forming chains along the <  ...[more]

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