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
| Autor: | Ibrahim G. Mamedov, Victor N. Khrustalev, Mehmet Akkurt, Anton P. Novikov, Ayten R. Asgarova, Khatira N. Aliyeva, Anzurat A. Akobirshoeva |
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| Jazyk: | angličtina |
| Rok vydání: | 2022 |
| Předmět: | |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications, Vol 78, Iss 3, Pp 291-296 (2022) |
| Druh dokumentu: | article |
| ISSN: | 2056-9890 20569890 |
| DOI: | 10.1107/S2056989022001232 |
| Popis: | 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...O hydrogen bonds, forming a dimer with an R22(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. |
| Databáze: | Directory of Open Access Journals |
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