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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2022
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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 |
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. |
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