Crystal structure and Hirshfeld surface analysis of hexyl 1-hexyl-2-oxo-1,2-dihydroquinoline-4-carboxylate

The asymmetric unit of the title compound, C 22 H 31 NO 3 , comprises of one molecule. The molecule is not planar, with the carboxylate ester group inclined by 33.47 (4)° to the heterocyclic ring. Individual molecules are linked by aromatic C—H...O carbonyl hydrogen bonds into chains running paralle...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2020-05, Vol.76 (5), p.642-645
Hauptverfasser: Bouzian, Younos, Kansiz, Sevgi, Mahi, Lhassane, Ahabchane, Noureddine Hamou, Mague, Joel T., Dege, Necmi, Karrouchi, Khalid, Essassi, El Mokhtar
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung:The asymmetric unit of the title compound, C 22 H 31 NO 3 , comprises of one molecule. The molecule is not planar, with the carboxylate ester group inclined by 33.47 (4)° to the heterocyclic ring. Individual molecules are linked by aromatic C—H...O carbonyl hydrogen bonds into chains running parallel to [001]. Slipped π–π stacking interactions between quinoline moieties link these chains into layers extending parallel to (100). Hirshfeld surface analysis, two-dimensional fingerprint plots and molecular electrostatic potential surfaces were used to quantify the intermolecular interactions present in the crystal, indicating that the most important contributions for the crystal packing are from H...H (72%), O...H/H...O (14.5%) and C...H/H...C (5.6%) interactions.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989020004521