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

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

Acta Crystallographica Section E: Crystallographic Communications, cilt.79, ss.664-668, 2023 (ESCI) identifier identifier

  • 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), Scopus
  • Sayfa Sayıları: ss.664-668
  • Anahtar Kelimeler: C - H⋯F inter­actions, crystal structure, Hirshfeld surface analysis, hydrogen bonds, van der Waals forces
  • Hacettepe Üniversitesi Adresli: Evet

Özet

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.