Information card for entry 2206848

Structure parameters

• Chemical name: N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenylsulfanyl)-2-hydroxy- 2-methylpropionamide chloroform solvate
• Formula: C19 H15 Cl3 F4 N2 O2 S
• Calculated formula: C19 H15 Cl3 F4 N2 O2 S
• Title of publication: <i>N</i>-[4-Cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenylsulfanyl)-2-hydroxy-2-methylpropionamide chloroform solvate
• Authors of publication: Tang, Gu-Ping; Gu, Jian-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3184 - o3186
• a: 8.8442 ± 0.0009 Å
• b: 10.4591 ± 0.0009 Å
• c: 13.319 ± 0.001 Å
• α: 110.718 ± 0.004°
• β: 90.895 ± 0.002°
• γ: 105.595 ± 0.002°
• Cell volume: 1101.53 ± 0.17 ų
• Cell temperature: 253 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No