Crystal structure and Hirshfeld surface analysis of 2,5-di-imino-8a-methyl-4,9-bis-(4-methyl-phen-yl)-7-oxo-6-phenyl-deca-hydro-2H-3,8-methano-pyrano[3,2-c]pyridine-3,4a-dicarbo-nitrile N,N-di-methyl-formamide monosolvate.

ABSTRACT: In the title compound, C₃₂H₂₉N₅O₂·C₃H₇NO, the bi-cyclo[3.3.1]nonane ring sys-tem 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-oxabi-cyclo-[2.2.2]octane ring system exhibit a distorted boat conformation. Inter-molecular C-H⋯O and C-H⋯N hydrogen bonds connect the mol-ecules in the crystal, generating layers extending parallel to (100). These layers are connected by C-H⋯π inter-actions. A Hirshfeld surface analysis was per-formed to qu-antify the contributions of the different inter-molecular inter-actions, indicating that the most important contributions to the crystal packing are from H⋯H (52.5%), N⋯H/H⋯N (19.2%)

SUBMITTER: Naghiyev FN 

PROVIDER: S-EPMC10088326 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature