Information card for entry 2238020

Structure parameters

• Chemical name: Methyl 5''-chloro-1',1''-dimethyl-2,2''-dioxodispiro[indoline-3,2'-pyrrolidine-3',3''-indoline]-4'-carboxylate
• Formula: C22 H20 Cl N3 O4
• Calculated formula: C22 H20 Cl N3 O4
• SMILES: c1(cc2c(cc1)N(C(=O)[C@]12[C@H](CN(C)[C@]21C(=O)Nc1ccccc21)C(=O)OC)C)Cl.c1(cc2c(cc1)N(C(=O)[C@@]12[C@@H](CN(C)[C@@]21C(=O)Nc1ccccc21)C(=O)OC)C)Cl
• Title of publication: Methyl 5''-chloro-1',1''-dimethyl-2,2''-dioxodispiro[indoline-3,2'-pyrrolidine-3',3''-indoline]-4'-carboxylate
• Authors of publication: Kannan, Piskala Subburaman; Yuvaraj, PanneerSelvam; Manivannan, Karthikeyan; Reddy, Boreddy Siva Rami; SubbiahPandi, Arunachalathevar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o825 - o826
• a: 9.2543 ± 0.0004 Å
• b: 18.1387 ± 0.0007 Å
• c: 12.5147 ± 0.0005 Å
• α: 90°
• β: 105.026 ± 0.002°
• γ: 90°
• Cell volume: 2028.9 ± 0.14 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes