Information card for entry 2216669

Structure parameters

• Chemical name: 4-Bromo-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>- pyrazol-4-yl)benzenesulfonamide
• Formula: C17 H16 Br N3 O3 S
• Calculated formula: C17 H16 Br N3 O3 S
• SMILES: c1(ccc(cc1)Br)S(=O)(=O)Nc1c(C)n(C)n(c1=O)c1ccccc1
• Title of publication: 4-Bromo-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)benzenesulfonamide
• Authors of publication: Silva, Luiz Everson da; Sousa Jr, Paulo Teixeira de; Maciel, Eduardo Nunes; Foro, Sabine; Dall'Oglio, Evandro Luiz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4820 - o4820
• a: 7.979 ± 0.001 Å
• b: 14.099 ± 0.002 Å
• c: 15.685 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1764.5 ± 0.5 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes