Synthesis, crystal structure and Hirshfeld surface analysis of tert-butyl 4-[4-(di­fluoro­meth­oxy)phen­yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate

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Pehlivanlar E., Yildirim S. Ö., ŞİMŞEK R., AKKURT M., Butcher R. J., Bhattarai A.

Acta Crystallographica Section E: Crystallographic Communications, vol.79, pp.664-668, 2023 (ESCI)

• Publication Type: Article / Article
• Volume: 79
• Publication Date: 2023
• Doi Number: 10.1107/s2056989023005455
• Journal Name: Acta Crystallographica Section E: Crystallographic Communications
• Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
• Page Numbers: pp.664-668
• Keywords: C - H⋯F inter­actions, crystal structure, Hirshfeld surface analysis, hydrogen bonds, van der Waals forces
• Hacettepe University Affiliated: Yes

Abstract

The 1,4-di­hydro­pyridine ring of the title compound, C24H29F2NO4, adopts a distorted boat conformation, while the cyclo­hexene ring is in an almost twist-boat conformation. In the crystal, N - H⋯O and C - H⋯O hydrogen bonds as well as C - H⋯π inter­actions connect mol­ecules, forming layers parallel to the (100) plane. These layers are linked by van der Waals forces and C - H⋯F inter­actions, which consolidate the crystal structure. Hirshfeld surface analysis shows the major contributions to the crystal packing are from H⋯H (54.1%), F⋯H/H⋯F (16.9%), O⋯H/H⋯O (15.4%) and C⋯H/H⋯C (12.6%) contacts.