Information card for entry 2231428

Structure parameters

• Chemical name: 4-(5-Oxo-3-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)benzenesulfonamide
• Formula: C15 H13 N3 O3 S
• Calculated formula: C15 H13 N3 O3 S
• SMILES: S(=O)(=O)(N)c1ccc(N2N=C(CC2=O)c2ccccc2)cc1
• Title of publication: 4-(5-Oxo-3-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)benzenesulfonamide
• Authors of publication: Al-Youbi, Abdulrahman O.; Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2428
• a: 13.6794 ± 0.0004 Å
• b: 13.4304 ± 0.0004 Å
• c: 7.3678 ± 0.0002 Å
• α: 90°
• β: 91.055 ± 0.003°
• γ: 90°
• Cell volume: 1353.38 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0457
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes