Information card for entry 2011368

Structure parameters

• Chemical name: 5-Fluoro-2,3-indolinedione
• Formula: C8 H4 F N O2
• Calculated formula: C8 H4 F N O2
• SMILES: Fc1ccc2NC(=O)C(=O)c2c1
• Title of publication: 5-Fluoroindoline-2,3-dione
• Authors of publication: Naumov, Pance; Anastasova, Frosa; Drew, Michael G. B.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: e406 - e407
• a: 3.789 ± 0.007 Å
• b: 12.2 ± 0.01 Å
• c: 14.99 ± 0.02 Å
• α: 90°
• β: 94.41 ± 0.01°
• γ: 90°
• Cell volume: 690.9 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.088
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No