Information card for entry 2206557

Structure parameters

• Chemical name: 3,4-Difluorobenzohydroxamic acid
• Formula: C7 H5 F2 N O2
• Calculated formula: C7 H5 F2 N O2
• SMILES: c1c(c(ccc1C(=O)NO)F)F
• Title of publication: 3,4-Difluorobenzohydroxamic acid
• Authors of publication: Shang, Xian-Mei; Meng, Xiang-Gao; Wu, Ji-Zhou; Li, Qing-Shan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2328 - o2329
• a: 4.9983 ± 0.0011 Å
• b: 5.5158 ± 0.0012 Å
• c: 26.418 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 728.3 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• 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: 0.0639
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes