Information card for entry 2242467

Structure parameters

• Chemical name: 4'-(2-Chlorophenyl)-1'-methyl-3''-phenyl-7'',8''-dihydro-5''<i>H</i>-dispiro[indoline-3,2'-pyrrolidine-3',6''-isoquinoline]-2,5''-dione
• Formula: C32 H26 Cl N3 O2
• Calculated formula: C32 H26 Cl N3 O2
• SMILES: [C@]12([C@@]3([C@H](CN2C)c2c(cccc2)Cl)C(=O)c2ccc(c4ccccc4)nc2CC3)c2ccccc2NC1=O.[C@@]12([C@]3([C@@H](CN2C)c2c(cccc2)Cl)C(=O)c2ccc(c4ccccc4)nc2CC3)c2ccccc2NC1=O
• Title of publication: Crystal structure and Hirshfeld surface analysis of 4'-(2-chlorophenyl)-1'-methyl-3''-phenyl-7'',8''-dihydro-5''<i>H</i>-dispiro[indoline-3,2'-pyrrolidine-3',6''-isoquinoline]-2,5''-dione
• Authors of publication: Vishnupriya, R.; Selva Meenatchi, C.; Suresh, J.; Sumesh, R. V.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 5
• Pages of publication: 660 - 663
• a: 6.7722 ± 0.0004 Å
• b: 11.5017 ± 0.0008 Å
• c: 16.6305 ± 0.0011 Å
• α: 80.224 ± 0.003°
• β: 84.618 ± 0.003°
• γ: 81.077 ± 0.003°
• Cell volume: 1258.09 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes