Information card for entry 2229241

Structure parameters

• Chemical name: (<i>Z</i>)-3-[(2-Fluoroanilino)carbonyl]prop-2-enoic acid
• Formula: C10 H8 F N O3
• Calculated formula: C10 H8 F N O3
• SMILES: Fc1c(NC(=O)/C=C\C(=O)O)cccc1
• Title of publication: (<i>Z</i>)-3-[(2-Fluoroanilino)carbonyl]prop-2-enoic acid
• Authors of publication: Ali Shah, Farooq; Ali, Saqib; Shahzadi, Saira; Ahmad, Sajjad; Fischer, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o393
• a: 20.282 ± 0.002 Å
• b: 3.8025 ± 0.0004 Å
• c: 11.8183 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 911.45 ± 0.15 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes