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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-2 H -3,8-methano-pyrano[3,2- c ]pyridine-3,4a-dicarbo-nitrile N , N -di-methyl-formamide monosolvate.
- Source :
-
Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2023 Mar 02; Vol. 79 (Pt 4), pp. 254-258. Date of Electronic Publication: 2023 Mar 02 (Print Publication: 2023). - Publication Year :
- 2023
-
Abstract
- In the title compound, C <subscript>32</subscript> H <subscript>29</subscript> N <subscript>5</subscript> O <subscript>2</subscript> ·C <subscript>3</subscript> H <subscript>7</subscript> NO, 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%), C⋯H/H⋯C (18.8%) and O⋯H/H⋯O (8.3%) inter-actions.<br /> (© Naghiyev et al. 2023.)
Details
- Language :
- English
- ISSN :
- 2056-9890
- Volume :
- 79
- Issue :
- Pt 4
- Database :
- MEDLINE
- Journal :
- Acta crystallographica. Section E, Crystallographic communications
- Publication Type :
- Academic Journal
- Accession number :
- 37057030
- Full Text :
- https://doi.org/10.1107/S2056989023001718