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

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Yıldırım S. Ö., AKKURT M., ÇETİN G., ŞİMŞEK R., Butcher R. J., Bhattarai A.

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
• 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.