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Crystal structure and Hirshfeld surface analysis of 4′-(2-chlorophenyl)-1′-methyl-3′′-phenyl-7′′,8′′-dihydro-5′′H-dispiro[indoline-3,2′-pyrrolidine-3′,6′′-isoquinoline]-2,5′′-dione
In the title dispiro compound, C(32)H(26)ClN(3)O(2), the cyclohexanone ring of the isoquinoline unit has a distorted envelope conformation, with the methylene C atom adjacent to the spiro C atom as the flap. The central 1-methylpyrrolidine ring has an envelope conformation with the N atom as t...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947482/ https://www.ncbi.nlm.nih.gov/pubmed/29850086 http://dx.doi.org/10.1107/S2056989018005455 |
Sumario: | In the title dispiro compound, C(32)H(26)ClN(3)O(2), the cyclohexanone ring of the isoquinoline unit has a distorted envelope conformation, with the methylene C atom adjacent to the spiro C atom as the flap. The central 1-methylpyrrolidine ring has an envelope conformation with the N atom as the flap. The mean planes of the indolin-2-one ring system, the chlorobenzene ring and the isoquinoline ring system are inclined to the mean plane of the central 1-methylpyrrolidine ring by 87.95 (11), 71.01 (12) and 88.81 (10)°, respectively. There are two short C—H⋯O intramolecular contacts present. In the crystal, molecules are linked via C—H⋯ O hydrogen bonds, forming chains along the a-axis direction. The NH H atom is involved in a weak N—H⋯O hydrogen bond with the same carbonyl O atom. There are no further significant intermolecular contacts present. The largest contribution to the overall Hirshfeld surface of 52.3% is due to H—H contacts. |
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