Information card for entry 2214095

Structure parameters

• Chemical name: N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzenesulfonamide
• Formula: C17 H17 N3 O3 S
• Calculated formula: C17 H17 N3 O3 S
• SMILES: c1(ccccc1)N1C(=O)C(=C(C)N1C)NS(=O)(=O)c1ccccc1
• Title of publication: <i>N</i>-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)benzenesulfonamide
• Authors of publication: Zheng, Yun-Fa; Zhang, Chun-Niu; Yang, Ming-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3293 - o3293
• a: 9.085 ± 0.003 Å
• b: 9.799 ± 0.003 Å
• c: 9.809 ± 0.004 Å
• α: 70.333 ± 0.004°
• β: 76.301 ± 0.002°
• γ: 87.991 ± 0.005°
• Cell volume: 798 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes