Cargando…

Crystal structure and Hirshfeld surface analysis of 2,5-di­imino-8a-methyl-4,9-bis­(4-methyl­phen­yl)-7-oxo-6-phenyl-deca­hydro-2H-3,8-methano­pyrano[3,2-c]pyridine-3,4a-dicarbo­nitrile N,N-di­methyl­formamide monosolvate

In the title compound, C(32)H(29)N(5)O(2)·C(3)H(7)NO, the bi­cyclo[3.3.1]nonane ring sys­tem adopts a half-chair/twist-boat conformation, with the phenyl rings in equatorial orientations with respect to the piperidine ring. The two oxane rings of the 2-oxabi­cyclo­[2.2.2]octane ring system exhibit a...

Descripción completa

Detalles Bibliográficos
Autores principales: Naghiyev, Farid N., Khrustalev, Victor N., Novikov, Anton P., Akkurt, Mehmet, Khalilov, Ali N., Bhattarai, Ajaya, Mamedov, İbrahim G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10088326/
https://www.ncbi.nlm.nih.gov/pubmed/37057030
http://dx.doi.org/10.1107/S2056989023001718
Descripción
Sumario:In the title compound, C(32)H(29)N(5)O(2)·C(3)H(7)NO, the bi­cyclo[3.3.1]nonane ring sys­tem adopts a half-chair/twist-boat conformation, with the phenyl rings in equatorial orientations with respect to the piperidine ring. The two oxane rings of the 2-oxabi­cyclo­[2.2.2]octane ring system exhibit a distorted boat conformation. Inter­molecular C—H⋯O and C—H⋯N hydrogen bonds connect the mol­ecules in the crystal, generating layers extending parallel to (100). These layers are connected by C—H⋯π inter­actions. A Hirshfeld surface analysis was per­formed to qu­antify the contributions of the different inter­molecular inter­actions, indicating that the most important contributions to the crystal packing are from H⋯H (52.5%), N⋯H/H⋯N (19.2%), C⋯H/H⋯C (18.8%) and O⋯H/H⋯O (8.3%) inter­actions.