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

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 center dot center dot center dot 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 center dot center dot center dot O and C-H center dot center dot center dot F interactions, forming a three-dimensional network. In addition, C-H center dot center dot center dot pi interactions link the molecules into layers parallel to the (100) plane. A Hirshfeld surface analysis was performed to further investigate the intermolecular interactions.

Automated summary

In the title compound, the conformation of the 1,4-dihydropyridine ring is distorted boat, and the cyclohexene ring almost adopts a half-chair conformation. In the crystal, intermolecular N-H···O hydrogen bonds form chains with C(6) graph-set motif along the a-axis. These chains are connected by C-H···O and C-H···F interactions to form a three-dimensional network. Additionally, C-H···π interactions link the molecules into layers parallel to the (100) plane. A Hirshfeld surface analysis was conducted to investigate the intermolecular interactions further.