Information card for entry 2216672

Structure parameters

• Chemical name: 2,5-Dichloro<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>- pyrazol-4-yl)benzenesulfonamide
• Formula: C17 H15 Cl2 N3 O3 S
• Calculated formula: C17 H15 Cl2 N3 O3 S
• SMILES: c1(c(ccc(c1)Cl)Cl)S(=O)(=O)Nc1c(C)n(C)n(c1=O)c1ccccc1
• Title of publication: 2,5-Dichloro-<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; Silva, Virgínia Cláudia da; Ribeiro, Tereza Auxiliadora Nascimento; 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: o4821 - o4821
• a: 8.009 ± 0.002 Å
• b: 10.697 ± 0.003 Å
• c: 11.201 ± 0.005 Å
• α: 102.17 ± 0.03°
• β: 92.23 ± 0.02°
• γ: 108.69 ± 0.03°
• Cell volume: 882.7 ± 0.6 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.258
• Weighted residual factors for all reflections included in the refinement: 0.2704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes