Information card for entry 2019837

Structure parameters

• Common name: Ethyl 1',1''-dimethyl-2'',3-dioxo-1'',2''-dihydro-3<i>H</i>-dispiro[1-benzothiophene-2,3'-pyrrolidine-2',3''-indole]-4'-carboxylate
• Chemical name: Ethyl 1',1''-dimethyl-2'',3-dioxo-3<i>H</i>-dispiro[benzo[<i>b</i>]thiophene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxylate
• Formula: C23 H22 N2 O4 S
• Calculated formula: C23 H22 N2 O4 S
• SMILES: S1[C@]2([C@@]3(c4c(N(C3=O)C)cccc4)N(C[C@H]2C(=O)OCC)C)C(=O)c2c1cccc2.S1[C@@]2([C@]3(c4c(N(C3=O)C)cccc4)N(C[C@@H]2C(=O)OCC)C)C(=O)c2c1cccc2
• Title of publication: Crystal structure of ethyl 1′,1′′-dimethyl-2′′,3-dioxo-3H-dispiro[benzo[b]thiophene-2,3′-pyrrolidine-2′,3′′-indoline]-4′-carboxylate
• Authors of publication: Savithri, M. P.; Suresh, M.; Raghunathan, R.; Raja, R.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• Pages of publication: o142
• a: 23.7049 ± 0.0011 Å
• b: 8.2632 ± 0.0003 Å
• c: 22.1003 ± 0.0008 Å
• α: 90°
• β: 102.337 ± 0.002°
• γ: 90°
• Cell volume: 4229 ± 0.3 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: 0.0472
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes