Crystal structure and Hirshfeld surface analysis of isopropyl 4-[2-fluoro-5-(trifluoromethyl)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylate
Acta Crystallographica Section E: Crystallographic Communications, vol.79, no.Pt 3, pp.187-191, 2023 (Scopus)
- Publication Type: Article / Article
- Volume: 79 Issue: Pt 3
- Publication Date: 2023
- Doi Number: 10.1107/s205698902300141x
- Journal Name: Acta Crystallographica Section E: Crystallographic Communications
- Journal Indexes: Scopus
- Page Numbers: pp.187-191
- Keywords: crystal structure, 1,4-dihydropyridine ring, cyclohexene ring, quinoline ring system, van der Waals interactions, Hirshfeld surface analysis
- Open Archive Collection: AVESIS Open Access Collection
- Hacettepe University Affiliated: Yes
Abstract
In the title compound, C23H25F4NO3, the 1,4-dihydropyridine ring adopts a distorted boat conformation, while the cyclohexene ring is almost showing a half-chair conformation. In the crystal, intermolecular N—H· · ·O hydrogen bonds connect the molecules into chains with graph-set motif C(6) parallel to the a-axis. These chains are linked together by C—H· · ·O and C—H· · ·F interactions, forming a three-dimensional network. In addition, C—H· · ·π interactions link the molecules into layers parallel to the (100) plane. A Hirshfeld surface analysis was performed to further investigate the intermolecular interactions.