Information card for entry 1544228

Structure parameters

• Chemical name: 5,7-Dichloro-1<i>H</i>-indole-2,3-dione
• Formula: C8 H3 Cl2 N O2
• Calculated formula: C8 H3 Cl2 N O2
• SMILES: Clc1cc2C(=O)C(=O)Nc2c(Cl)c1
• Title of publication: 5,7-Dichloro-1<i>H</i>-indole-2,3-dione
• Authors of publication: Golen, James A.; Manke, David R.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 9
• Pages of publication: x161510
• a: 11.0789 ± 0.0017 Å
• b: 4.9866 ± 0.0008 Å
• c: 15.049 ± 0.002 Å
• α: 90°
• β: 108.041 ± 0.007°
• γ: 90°
• Cell volume: 790.5 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 5
• 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: 0.0396
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes