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Synthesis, characterization, crystal structure and Hirshfeld surface analysis of a hexa­hydro­quinoline derivative: tert-butyl 4-([1,1′-biphen­yl]-4-yl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate

The title compound, C(29)H(33)NO(3), crystallizes with three mol­ecules (A, B and C) in the asymmetric unit. They differ in the twist of the phenyl and benzene rings of the 1,1′-biphenyl ring with respect to the plane of the 1,4-di­hydro­pyridine ring. In all three mol­ecules, the 1,4-di­hydro­pyrid...

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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 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9361379/
https://www.ncbi.nlm.nih.gov/pubmed/35974826
http://dx.doi.org/10.1107/S2056989022007022
Descripción
Sumario:The title compound, C(29)H(33)NO(3), crystallizes with three mol­ecules (A, B and C) in the asymmetric unit. They differ in the twist of the phenyl and benzene rings of the 1,1′-biphenyl ring with respect to the plane of the 1,4-di­hydro­pyridine ring. In all three mol­ecules, the 1,4-di­hydro­pyridine ring adopts a distorted boat conformation. The cyclo­hexene ring has an envelope conformation in mol­ecules A and B, while it exhibits a distorted half-chair conformation for both the major and minor components in the disordered mol­ecule C. In the crystal, mol­ecules are linked by C—H⋯O and N—H⋯O hydrogen bonds, forming layers parallel to (100) defining R (1) (4)(6) and C(7) graph-set motifs. Additional C—H⋯π inter­actions consolidate the layered structure. Between the layers, van der Waals inter­actions stabilize the packing, as revealed by Hirshfeld surface analysis. The greatest contributions to the crystal packing are from H⋯H (69.6% in A, 69.9% in B, 70.1% in C), C⋯H/H⋯C (20.3% in A, 20.6% in B, 20.3% in C) and O⋯H/H⋯O (8.6% in A, 8.6% in B, 8.4% in C) inter­actions.