Information card for entry 2231541

Structure parameters

• Chemical name: 4-(5-Phenyl-3-trifluoromethyl-1<i>H</i>-pyrazol-1-yl)benzenesulfonamide
• Formula: C16 H12 F3 N3 O2 S
• Calculated formula: C16 H12 F3 N3 O2 S
• SMILES: S(=O)(=O)(N)c1ccc(n2nc(C(F)(F)F)cc2c2ccccc2)cc1
• Title of publication: 4-(5-Phenyl-3-trifluoromethyl-1<i>H</i>-pyrazol-1-yl)benzenesulfonamide
• Authors of publication: Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2424
• a: 16.243 ± 0.0007 Å
• b: 4.9461 ± 0.0002 Å
• c: 21.2383 ± 0.0008 Å
• α: 90°
• β: 111.231 ± 0.005°
• γ: 90°
• Cell volume: 1590.47 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes