Information card for entry 1542512

Structure parameters

• Chemical name: 4-Iodo-1<i>H</i>-indole-2,3-dione
• Formula: C8 H4 I N O2
• Calculated formula: C8 H4 I N O2
• SMILES: Ic1c2C(=O)C(=O)Nc2ccc1
• Title of publication: 4-Iodo-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: 2
• Pages of publication: x160215
• a: 7.6138 ± 0.0009 Å
• b: 13.9658 ± 0.0017 Å
• c: 7.3866 ± 0.001 Å
• α: 90°
• β: 91.249 ± 0.005°
• γ: 90°
• Cell volume: 785.25 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 297.68 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: 0.0437
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes