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Synthesis, characterization, crystal structure and Hirshfeld surface analysis of isobutyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate. 2023

Sema Öztürk Yıldırım, and Mehmet Akkurt, and Gökalp Çetin, and Rahime Şimşek, and Ray J Butcher, and Ajaya Bhattarai
Department of Physics, Faculty of Science, Eskisehir Technical University, Yunus Emre Campus 26470 Eskisehir, Türkiye.

In the title compound, C24H29F2NO4, which crystallizes in the ortho-rhom-bic Pca21 space group with Z = 4, the 1,4-di-hydro-pyridine ring adopts a distorted boat conformation, while the cyclo-hexene ring is in a distorted half-chair conformation. In the crystal, the mol-ecules are linked by N-H⋯O and C-H⋯O inter-actions, forming supra-molecular chains parallel to the a axis. These chains pack with C-H⋯π inter-actions between them, forming layers parallel to the (010) plane. The cohesion of the crystal structure is ensured by van der Waals inter-actions between these layers. Hirshfeld surface analysis shows the major contributions to the crystal packing are from H⋯H (56.9%), F⋯H/H⋯F (15.7%), O⋯H/H⋯O (13.7%) and C⋯H/H⋯C (9.5%) contacts.

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