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 w...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2022-03, Vol.78 (3), p.291-296
Hauptverfasser: Mamedov, Ibrahim G., Khrustalev, Victor N., Akkurt, Mehmet, Novikov, Anton P., Asgarova, Ayten R., Aliyeva, Khatira N., Akobirshoeva, Anzurat A.
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung: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.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989022001232