Information card for entry 2207487

Structure parameters

• Chemical name: 4'-(4-Bromobenzoyl)-1'-methyl-dispiro[indole-3(2H),2'-pyrrolidine- 3',3''(2''H)-indole]-2,2''-dione
• Formula: C26 H20 Br N3 O3
• Calculated formula: C26 H20 Br N3 O3
• SMILES: Brc1ccc(cc1)C(=O)[C@@H]1[C@@]2(C(=O)Nc3c2cccc3)[C@@]2(N(C1)C)c1ccccc1NC2=O.Brc1ccc(cc1)C(=O)[C@H]1[C@]2(C(=O)Nc3c2cccc3)[C@]2(N(C1)C)c1ccccc1NC2=O
• Title of publication: 4'-(4-Bromobenzoyl)-1'-methyldispiro[indole-3(2<i>H</i>),2'-pyrrolidine-3',3''(2''<i>H</i>)-indole]-2,2''-dione
• Authors of publication: K. Palani; M. N. Ponnuswamy; A. R. Suresh Babu; R. Raghunathan; K. Ravikumar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4254 - o4256
• a: 9.9029 ± 0.0011 Å
• b: 10.2823 ± 0.0011 Å
• c: 11.6261 ± 0.0013 Å
• α: 104.37 ± 0.002°
• β: 94.036 ± 0.002°
• γ: 101.771 ± 0.002°
• Cell volume: 1113.5 ± 0.2 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: 0.0633
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes