Information card for entry 2228220

Structure parameters

• Chemical name: (2<i>Z</i>)-4-[(2-Hydroxyphenyl)carbamoyl]prop-2-enoic acid
• Formula: C10 H9 N O4
• Calculated formula: C10 H9 N O4
• SMILES: Oc1c(NC(=O)/C=C\C(=O)O)cccc1
• Title of publication: (2<i>Z</i>)-4-[(2-Hydroxyphenyl)carbamoyl]prop-2-enoic acid
• Authors of publication: Shah, Farooq Ali; Ali, Saqib; Tahir, M. Nawaz; Ahmed, Sajjad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3172
• a: 6.7873 ± 0.0003 Å
• b: 10.6855 ± 0.0004 Å
• c: 12.8442 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 931.53 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.032
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes