Information card for entry 2204497

Structure parameters

• Chemical name: 3-[(4-Bromoanilino)carbonyl]prop-2-enoic acid
• Formula: C10 H8 Br N O3
• Calculated formula: C10 H8 Br N O3
• SMILES: Brc1ccc(NC(=O)/C=C\C(=O)O)cc1
• Title of publication: 3-[(4-Bromoanilino)carbonyl]prop-2-enoic acid
• Authors of publication: Parvez, Masood; Shahid, Khadija; Shahzadi, Saira; Ali, Saqib
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o2079 - o2081
• a: 10.481 ± 0.002 Å
• b: 10.844 ± 0.002 Å
• c: 11.151 ± 0.003 Å
• α: 106.576 ± 0.009°
• β: 106.92 ± 0.01°
• γ: 111.192 ± 0.01°
• Cell volume: 1016.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.052
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes