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

  • Ezgi Pehlivanlar
  • , Sema Öztürk Yildirim
  • , Rahime Şimşek
  • , Mehmet Akkurt
  • , Ray J. Butcher
  • , Ajaya Bhattarai

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)664-668
Number of pages5
JournalActa Crystallographica Section E: Crystallographic Communications
Volume79
DOIs
Publication statusPublished - 30 Jun 2023

Keywords

  • C - H⋯F inter­actions
  • Hirshfeld surface analysis
  • crystal structure
  • hydrogen bonds
  • van der Waals forces

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