Information card for entry 2207132

Structure parameters

• Chemical name: N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenylsulfonyl)- 2-hydroxy-2-methylpropionamide
• Formula: C18 H14 F4 N2 O4 S
• Calculated formula: C18 H14 F4 N2 O4 S
• SMILES: S(=O)(=O)(CC(O)(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)C#N)c1ccc(F)cc1
• Title of publication: <i>N</i>-[4-Cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenylsulfonyl)-2-hydroxy-2-methylpropionamide
• Authors of publication: Xiu-Rong Hu; Jian-Ming Gu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3897 - o3898
• a: 14.882 ± 0.005 Å
• b: 12.213 ± 0.003 Å
• c: 10.461 ± 0.003 Å
• α: 90°
• β: 104.68 ± 0.013°
• γ: 90°
• Cell volume: 1839.3 ± 0.9 ų
• Cell temperature: 296 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes