Synthesis, crystal structure and Hirshfeld surface analysis of <i>tert</i>-butyl 4-[4-(difluoromethoxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.79, ss.664-668, 2023 (ESCI)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 79
- Basım Tarihi: 2023
- Doi Numarası: 10.1107/s2056989023005455
- Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
- Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI)
- Sayfa Sayıları: ss.664-668
- Anahtar Kelimeler: C - H⋯F interactions, crystal structure, Hirshfeld surface analysis, hydrogen bonds, van der Waals forces
- Karadeniz Teknik Üniversitesi Adresli: Hayır
Özet
The 1,4-dihydropyridine ring of the title compound, C24H29F2NO4, adopts a distorted boat conformation, while the cyclohexene ring is in an almost twistboat conformation. In the crystal, N-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds as well as C-H center dot center dot center dot pi interactions connect molecules, forming layers parallel to the (100) plane. These layers are linked by van der Waals forces and C-H center dot center dot center dot F interactions, which consolidate the crystal structure. Hirshfeld surface analysis shows the major contributions to the crystal packing are from H center dot center dot center dot H (54.1%), F center dot center dot center dot H/H center dot center dot center dot F (16.9%), O center dot center dot center dot H/H center dot center dot center dot O (15.4%) and C center dot center dot center dot H/H center dot center dot center dot C (12.6%) contacts.