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Crystal structure and Hirshfeld surface analysis of isopropyl 4-[2-fluoro-5-(tri-fluoro-meth-yl)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.
Yildirim, Sema Öztürk; Akkurt, Mehmet; Çetin, Gökalp; Simsek, Rahime; Butcher, Ray J; Bhattarai, Ajaya.
Afiliação
  • Yildirim SÖ; Department of Physics, Faculty of Science, Eskisehir Technical University, Yunus Emre Campus 26470 Eskisehir, Türkiye.
  • Akkurt M; Department of Physics, Faculty of Science, Erciyes University, 38039 Kayseri, Türkiye.
  • Çetin G; Department of Physics, Faculty of Science, Erciyes University, 38039 Kayseri, Türkiye.
  • Simsek R; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Erzincan Binali Yildirim University, 24100 Erzincan, Türkiye.
  • Butcher RJ; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Hacettepe University, 06100 Sihhiye-Ankara, Türkiye.
  • Bhattarai A; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Hacettepe University, 06100 Sihhiye-Ankara, Türkiye.
Acta Crystallogr E Crystallogr Commun ; 79(Pt 3): 187-191, 2023 Feb 01.
Article em En | MEDLINE | ID: mdl-36909987
ABSTRACT
In the title compound, C23H25F4NO3, the 1,4-di-hydro-pyridine ring adopts a distorted boat conformation, while the cyclo-hexene ring is almost showing a half-chair conformation. In the crystal, inter-molecular N-H⋯O hydrogen bonds connect the mol-ecules into chains with graph-set motif C(6) parallel to the a-axis. These chains are linked together by C-H⋯O and C-H⋯F inter-actions, forming a three-dimensional network. In addition, C-H⋯π inter-actions link the mol-ecules into layers parallel to the (100) plane. A Hirshfeld surface analysis was performed to further investigate the inter-molecular inter-actions.
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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article