Information card for entry 2233456

Structure parameters

• Chemical name: 1'-Methyl-4'-phenyl-2''-sulfanylidenedispiro[indoline-3,2'- pyrrolidine-3',5''-1,3-thiazolidine]-2,4''-dione
• Formula: C20 H17 N3 O2 S2
• Calculated formula: C20 H17 N3 O2 S2
• SMILES: S1[C@@]2([C@@]3(N(C[C@@H]2c2ccccc2)C)C(=O)Nc2ccccc32)C(=O)NC1=S.S1[C@]2([C@]3(N(C[C@H]2c2ccccc2)C)C(=O)Nc2ccccc32)C(=O)NC1=S
• Title of publication: 1'-Methyl-4'-phenyl-2''-sulfanylidenedispiro[indoline-3,2'-pyrrolidine-3',5''-1,3-thiazolidine]-2,4''-dione
• Authors of publication: Natarajan, Sampath; Mathews, Rita
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o343
• a: 24.259 ± 0.006 Å
• b: 13.359 ± 0.003 Å
• c: 23.628 ± 0.005 Å
• α: 90°
• β: 90.418 ± 0.007°
• γ: 90°
• Cell volume: 7657 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1119
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes