Synthesis, crystal structure and Hirshfeld surface analysis of -butyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.
Clicks: 40
ID: 276874
2023
The 1,4-di-hydro-pyridine ring of the title compound, CHFNO, adopts a distorted boat conformation, while the cyclo-hexene 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 inter-actions connect mol-ecules, forming layers parallel to the (100) plane. These layers are linked by van der Waals forces and C-H⋯F inter-actions, 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.
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| Authors | Pehlivanlar, Ezgi;Yıldırım, Sema Öztürk;Şimşek, Rahime;Akkurt, Mehmet;Butcher, Ray J;Bhattarai, Ajaya; |
| Journal | Acta crystallographica. Section E, Crystallographic communications |
| Year | 2023 |
| DOI | 10.1107/S2056989023005455 |
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