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Crystal structure and Hirshfeld surface analysis of isopropyl 4-[2-fluoro-5-(tri­fluoro­meth­yl)phen­yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate

In the title compound, C(23)H(25)F(4)NO(3), the 1,4-di­hydro­pyridine ring adopts a distorted boat conformation, while the cyclo­hexene ring is almost showing a half-chair conformation. In the crystal, inter­molecular N—H⋯O hydrogen bonds connect the mol­ecules into chains with graph-set motif C(6)...

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Detalles Bibliográficos
Autores principales: Yıldırım, Sema Öztürk, Akkurt, Mehmet, Çetin, Gökalp, Şimşek, Rahime, Butcher, Ray J., Bhattarai, Ajaya
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9993909/
https://www.ncbi.nlm.nih.gov/pubmed/36909987
http://dx.doi.org/10.1107/S205698902300141X
Descripción
Sumario:In the title compound, C(23)H(25)F(4)NO(3), the 1,4-di­hydro­pyridine ring adopts a distorted boat conformation, while the cyclo­hexene ring is almost showing a half-chair conformation. In the crystal, inter­molecular N—H⋯O hydrogen bonds connect the mol­ecules 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 inter­actions, forming a three-dimensional network. In addition, C—H⋯π inter­actions link the mol­ecules into layers parallel to the (100) plane. A Hirshfeld surface analysis was performed to further investigate the inter­molecular inter­actions.