Crystal structure and Hirshfeld surface analysis of 7,7-dimethyl-2-phenyl-3,3a,4,6,7,8,9,9a-octa-hydro-1H-benzo[f]iso-indole-1,5(2H)-dione.

ABSTRACT: The title compound, C₂₀H₂₃NO₂, was obtained via the reaction of N-allyl-N-phenyl-acryl-amide with 3-iodo-cyclo-hex-2-en-1-one using PdCl₂(PPh₃)₂ as a catalyst. The compound crystallizes in the monoclinic space group P2₁/c. The fused-ring system is not planar and the five- and six-membered rings are trans-fused. The mol-ecular geometry is partially stabilized by an intra-molecular C-H⋯O hydrogen bond, forming an S(6) ring motif. In the crystal, mol-ecules are linked by C-H⋯O and C-H⋯π inter-actions into a three-dimensional network. To further analyse the inter-molecular inter-actions, a Hirshfeld surface analysis was performed. The results indicate that the most impo

SUBMITTER: Cheng D 

PROVIDER: S-EPMC8983980 | biostudies-literature | 2022 Apr

REPOSITORIES: biostudies-literature