Crystal structure and Hirshfeld surface analysis of 3-benzoyl-6-(1,3-dioxo-1-phenyl-butan-2-yl)-2-hy-droxy-2-methyl-4-phenyl-cyclo-hexane-1,1-dicarbo-nitrile.

ABSTRACT: The central cyclo-hexane ring of the title compound, C₃₂H₂₈N₂O₄, adopts a chair conformation, with puckering parameters Q _T = 0.618 (2) Å, θ = 176.72 (19)° and φ = 290 (3)°. In the crystal, mol-ecules are linked by O-H⋯O, C-H⋯O and C-H⋯N hydrogen bonds, forming layers parallel to (100). These layers are linked by weak C-H⋯π inter-actions and van der Waals forces. A Hirshfeld surface analysis indicates that the contributions from the most prevalent inter-actions are H⋯H (41.2% contribution), C⋯H/H⋯C (20.3%), O⋯H/H⋯O (17.8%) and N⋯H/H⋯N (10.6%).

SUBMITTER: Naghiyev FN 

PROVIDER: S-EPMC9431776 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature