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-hexahydroquinoline-3-carboxylate

In the title compound, C 23 H 25 F 4 NO 3 , 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) pa...

Full description

Saved in:
Bibliographic Details
Published in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2023-03, Vol.79 (3), p.187-191
Main Authors: Yıldırım, Sema Öztürk, Akkurt, Mehmet, Çetin, Gökalp, Şimşek, Rahime, Butcher, Ray J., Bhattarai, Ajaya
Format: Article
Language:English
Subjects:
1,4-dihydropyridine ring
crystal structure
cyclohexene ring
hirshfeld surface analysis
quinoline ring system
van der waals interactions
Citations: Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:In the title compound, C 23 H 25 F 4 NO 3 , 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.
ISSN:2056-9890
2056-9890
DOI:10.1107/S205698902300141X