4-[4-(二氟甲氧基)苯基]-2,7,7-三甲基-5-氧代-1,4,5,6,7,8-六氢喹啉-3-羧酸丁酯的合成、晶体结构及 Hirshfeld 表面分析

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.

作者信息

Pehlivanlar Ezgi, Yıldırım Sema Öztürk, Şimşek Rahime, Akkurt Mehmet, Butcher Ray J, Bhattarai Ajaya

机构信息

Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Hacettepe University, 06100 Ankara, Türkiye.

Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Karadeniz Technical University, 61000 Trabzon, Türkiye.

出版信息

Acta Crystallogr E Crystallogr Commun. 2023 Jun 30;79(Pt 7):664-668. doi: 10.1107/S2056989023005455. eCollection 2023 Jun 1.

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.