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

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Naghiyev F. N., Khrustalev V. N., Novikov A. P., AKKURT M., Khalilov A. N., Bhattarai A., ...More

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.79, pp.254-258, 2023 (ESCI)

• Publication Type: Article / Article
• Volume: 79
• Publication Date: 2023
• Doi Number: 10.1107/s2056989023001718
• Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
• Page Numbers: pp.254-258
• Azerbaijan State University of Economics (UNEC) Affiliated: No

Abstract

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.