Information card for entry 1543229

Structure parameters

• Chemical name: 6-Iodo-1<i>H</i>-indole-2,3-dione
• Formula: C8 H4 I N O2
• Calculated formula: C8 H4 I N O2
• SMILES: Ic1ccc2C(=O)C(=O)Nc2c1
• Title of publication: 6-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: 4
• Pages of publication: x160700
• a: 6.4152 ± 0.0012 Å
• b: 7.5089 ± 0.0012 Å
• c: 8.9546 ± 0.0015 Å
• α: 110.162 ± 0.007°
• β: 96.12 ± 0.008°
• γ: 91.997 ± 0.008°
• Cell volume: 401.43 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200.15 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: 0.0228
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.0437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes