Information card for entry 2209808

Structure parameters

• Chemical name: 2,2,2-Trifluoro-N-(2-hydroxy-5-nitrophenyl)acetamide
• Formula: C8 H5 F3 N2 O4
• Calculated formula: C8 H5 F3 N2 O4
• SMILES: C(=O)(C(F)(F)F)Nc1c(ccc(c1)N(=O)=O)O
• Title of publication: 2,2,2-Trifluoro-<i>N</i>-(2-hydroxy-5-nitrophenyl)acetamide
• Authors of publication: Su-Qin Chen; Jing Zhu; Xiang-Hong Huang; Qian-Feng Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3589 - o3590
• a: 19.7661 ± 0.0007 Å
• b: 6.61 ± 0.009 Å
• c: 7.4321 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 971 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes