Information card for entry 1545559

Structure parameters

• Chemical name: 5,6-Dibromo-1<i>H</i>-indole-2,3-dione
• Formula: C8 H3 Br2 N O2
• Calculated formula: C8 H3 Br2 N O2
• SMILES: Brc1cc2C(=O)C(=O)Nc2cc1Br
• Title of publication: 5,6-Dibromo-1<i>H</i>-indole-2,3-dione
• Authors of publication: Golen, James A.; Manke, David R.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 3
• Pages of publication: x170355
• a: 7.1044 ± 0.001 Å
• b: 10.5317 ± 0.0015 Å
• c: 12.2598 ± 0.0017 Å
• α: 108.078 ± 0.004°
• β: 93.481 ± 0.005°
• γ: 101.484 ± 0.004°
• Cell volume: 847.1 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 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: 0.0266
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes