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 language | English |
|---|---|
| Pages (from-to) | 664-668 |
| Number of pages | 5 |
| Journal | Acta Crystallographica Section E: Crystallographic Communications |
| Volume | 79 |
| DOIs | |
| Publication status | Published - 30 Jun 2023 |
Keywords
- C - H⋯F interactions
- Hirshfeld surface analysis
- crystal structure
- hydrogen bonds
- van der Waals forces
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Dive into the research topics of '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'. Together they form a unique fingerprint.Cite this
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