Information card for entry 2019854

Structure parameters

• Common name: Ethyl 2'',3-dioxo-1'',2'',3',3'a,4',6'-hexahydro-3<i>H</i>-dispiro[1-benzothiophene-2,2'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-1',3''-indole]-3'-carboxylate
• Chemical name: 2'',3-Dioxo-7',7a'-dihydro-1'<i>H</i>,3<i>H</i>,3'<i>H</i>-dispiro[benzo[<i>b</i>]thiophene-2,6'-pyrrolo[1,2-<i>c</i>]thiazole-5',3''-indoline]-7'-carboxylate
• Formula: C23 H20 N2 O4 S2
• Calculated formula: C23 H20 N2 O4 S2
• Title of publication: Crystal structure of ethyl 2′′,3-dioxo-7′,7a'-dihydro-1′H,3H,3′H-dispiro[benzo[b]thiophene-2,6′-pyrrolo[1,2-c]thiazole-5′,3′′-indoline]-7′-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: o148
• a: 11.8894 ± 0.0005 Å
• b: 10.2181 ± 0.0004 Å
• c: 17.5044 ± 0.0008 Å
• α: 90°
• β: 97.991 ± 0.002°
• γ: 90°
• Cell volume: 2105.91 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes