Information card for entry 2235934

Structure parameters

• Chemical name: <i>N</i>-(2,4-Difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide hemihydrate
• Formula: C11 H9 F2 N2 O2.5
• Calculated formula: C11 H9 F2 N2 O2.5
• Title of publication: <i>N</i>-(2,4-Difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide hemihydrate
• Authors of publication: Yu, Jian-Guang; Zhu, Hai-Xi; Qiu, Jiang-Kai; Wang, De-Cai; Xu, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2325
• a: 15.182 ± 0.003 Å
• b: 13.803 ± 0.003 Å
• c: 12.159 ± 0.002 Å
• α: 90°
• β: 120.06 ± 0.03°
• γ: 90°
• Cell volume: 2205.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes