Information card for entry 1549074

Structure parameters

• Common name: 5-Bromo-1-(4-bromophenyl)isatin
• Chemical name: 5-Bromo-1-(4-bromophenyl)-2,3-dihydro-1<i>H</i>-indole-2,3-dione
• Formula: C14 H7 Br2 N O2
• Calculated formula: C14 H7 Br2 N O2
• SMILES: Brc1ccc2N(C(=O)C(=O)c2c1)c1ccc(Br)cc1
• Title of publication: 5-Bromo-1-(4-bromophenyl)isatin
• Authors of publication: El-Hiti, Gamal A.; Smith, Keith; Alamri, Mesfer; Morris, Ceri A.; Kille, Peter; Kariuki, Benson M.
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 3
• Pages of publication: x180426
• a: 15.116 ± 0.0014 Å
• b: 6.8728 ± 0.0006 Å
• c: 12.7492 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1324.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes