Information card for entry 1542517

Structure parameters

• Chemical name: 6-Fluoro-1<i>H</i>-indole-2,3-dione
• Formula: C8 H4 F N O2
• Calculated formula: C8 H4 F N O2
• SMILES: Fc1ccc2C(=O)C(=O)Nc2c1
• Title of publication: 6-Fluoro-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: x160165
• a: 4.988 ± 0.0003 Å
• b: 5.5522 ± 0.0003 Å
• c: 24.2578 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 671.8 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 297.95 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes