Crystal structure and Hirshfeld surface analysis of 2,5-diimino-8a-methyl-4,9-bis(4-methylphenyl)-7oxo-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)O2 center dot C3H7NO, 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 center dot center dot center dot O and C-H center dot center dot center dot N hydrogen bonds connect the molecules in the crystal, generating layers extending parallel to (100). These layers are connected by C-H center dot center dot center dot pi 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 center dot center dot center dot H (52.5%), N center dot center dot center dot H/H center dot center dot center dot N (19.2%), C center dot center dot center dot H/H center dot center dot center dot C (18.8%) and O center dot center dot center dot H/H center dot center dot center dot O (8.3%) interactions.

Automated summary

In the title compound, the ring system adopts specific conformations, and the crystal structure is stabilized by various intermolecular interactions, including hydrogen bonding and pi interactions. Hirshfeld surface analysis reveals the contributions of different intermolecular interactions to the crystal packing.