Information card for entry 2202971

Structure parameters

• Chemical name: 1-(3-Bromo-1-phenylsulfonyl-1H-indol-2-ylmethyl)-pyrrolidine-2,5-dione
• Formula: C19 H15 Br N2 O4 S
• Calculated formula: C19 H15 Br N2 O4 S
• SMILES: Brc1c(n(S(=O)(=O)c2ccccc2)c2c1cccc2)CN1C(=O)CCC1=O
• Title of publication: 1-(3-Bromo-1-phenylsulfonyl-1<i>H</i>-indol-2-ylmethyl)pyrrolidine-2,5-dione
• Authors of publication: T. Ravishankar; K. Chinnakali; N. Arumugam; P. C. Srinivasan; Anwar Usman; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o1903 - o1906
• a: 11.4561 ± 0.0005 Å
• b: 15.1588 ± 0.0007 Å
• c: 11.6819 ± 0.0005 Å
• α: 90°
• β: 116.493 ± 0.001°
• γ: 90°
• Cell volume: 1815.65 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0319
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No