Information card for entry 2231426

Structure parameters

• Chemical name: 4-(3-Methyl-5-phenyl-1<i>H</i>-pyrazol-1-yl)benzenesulfonamide
• Formula: C16 H15 N3 O2 S
• Calculated formula: C16 H15 N3 O2 S
• SMILES: S(=O)(=O)(N)c1ccc(n2nc(C)cc2c2ccccc2)cc1
• Title of publication: 4-(3-Methyl-5-phenyl-1<i>H</i>-pyrazol-1-yl)benzenesulfonamide
• Authors of publication: Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Youbi, Abdulrahman O.; Basaif, Salem A.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2426
• a: 28.2545 ± 0.0008 Å
• b: 11.9135 ± 0.0004 Å
• c: 9.3739 ± 0.0003 Å
• α: 90°
• β: 91.016 ± 0.003°
• γ: 90°
• Cell volume: 3154.85 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0486
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes