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

The title compound, C(20)H(23)NO(2), was obtained via the reaction of N-allyl-N-phenyl­acryl­amide with 3-iodo­cyclo­hex-2-en-1-one using PdCl(2)(PPh(3))(2) as a catalyst. The compound crystallizes in the monoclinic space group P2(1)/c. The fused-ring system is not planar and the five- and six-membe...

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Detalles Bibliográficos
Autores principales: Cheng, Dong, Gao, Xinlei, Huang, Jiating, Meng, Xiang-Zhen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8983980/
https://www.ncbi.nlm.nih.gov/pubmed/35492273
http://dx.doi.org/10.1107/S2056989022002353
Descripción
Sumario:The title compound, C(20)H(23)NO(2), was obtained via the reaction of N-allyl-N-phenyl­acryl­amide with 3-iodo­cyclo­hex-2-en-1-one using PdCl(2)(PPh(3))(2) as a catalyst. The compound crystallizes in the monoclinic space group P2(1)/c. The fused-ring system is not planar and the five- and six-membered rings are trans-fused. The mol­ecular geometry is partially stabilized by an intra­molecular C—H⋯O hydrogen bond, forming an S(6) ring motif. In the crystal, mol­ecules are linked by C—H⋯O and C—H⋯π inter­actions into a three-dimensional network. To further analyse the inter­molecular inter­actions, a Hirshfeld surface analysis was performed. The results indicate that the most important contributions to the overall surface are from H⋯H (65.5%), O⋯H/H⋯O (17.5%) and C⋯H/H⋯C (14.3%) inter­actions.