Information card for entry 2239778

Structure parameters

• Chemical name: Ethyl (2<i>S</i>*,2'<i>R</i>*)-1'-methyl-2'',3-dioxo-2,3-dihydrodispiro[1-benzothiophene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxylate
• Formula: C22 H20 N2 O4 S
• Calculated formula: C22 H20 N2 O4 S
• SMILES: S1c2ccccc2C(=O)[C@@]21[C@@H](CN([C@]12C(=O)Nc2c1cccc2)C)C(=O)OCC.S1c2ccccc2C(=O)[C@]21[C@H](CN([C@@]12C(=O)Nc2c1cccc2)C)C(=O)OCC
• Title of publication: Crystal structures of ethyl (2<i>S</i>*,2'<i>R</i>*)-1'-methyl-2'',3-dioxo-2,3-dihydrodispiro[1-benzothiophene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxylate and ethyl (2<i>S</i>*,2'<i>R</i>*)-5''-chloro-1'-methyl-2'',3-dioxo-2,3-dihydrodispiro[1-benzothiophene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxylate
• Authors of publication: Savithri, M. P.; Suresh, M.; Raghunathan, R.; Vimala, G.; Raja, R.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: 94 - 97
• a: 8.7196 ± 0.0004 Å
• b: 10.7874 ± 0.0005 Å
• c: 11.3488 ± 0.0005 Å
• α: 82.624 ± 0.002°
• β: 82.775 ± 0.002°
• γ: 79.214 ± 0.002°
• Cell volume: 1034.27 ± 0.08 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: 0.0354
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes