Information card for entry 2216748

Structure parameters

• Chemical name: 4-(2,4-Difluorophenyl)-2-(N-methylcarbamoyl)phenyl acetate
• Formula: C16 H13 F2 N O3
• Calculated formula: C16 H13 F2 N O3
• SMILES: Fc1c(c2ccc(OC(=O)C)c(c2)C(=O)NC)ccc(F)c1
• Title of publication: 4-(2,4-Difluorophenyl)-2-(<i>N</i>-methylcarbamoyl)phenyl acetate
• Authors of publication: Guang-Xiang Zhong; Jian Li; Ren-Hua Zheng; Kun Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4583 - o4583
• a: 9.8972 ± 0.0005 Å
• b: 19.9625 ± 0.0011 Å
• c: 7.4737 ± 0.0004 Å
• α: 90°
• β: 107.18 ± 0.002°
• γ: 90°
• Cell volume: 1410.72 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes