Information card for entry 2219321

Structure parameters

• Chemical name: 4-[(2-Fluorophenyl)amino]-4-oxobutanoic acid
• Formula: C10 H10 F N O3
• Calculated formula: C10 H10 F N O3
• SMILES: Fc1c(NC(=O)CCC(=O)O)cccc1
• Title of publication: 4-[(2-Fluorophenyl)amino]-4-oxobutanoic acid
• Authors of publication: Shah, Farooq Ali; Tahir, Muhammad Nawaz; Ali, Saqib
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1661
• a: 4.8054 ± 0.0003 Å
• b: 19.0399 ± 0.0013 Å
• c: 11.0429 ± 0.0008 Å
• α: 90°
• β: 101.821 ± 0.003°
• γ: 90°
• Cell volume: 988.94 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1047
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes