Information card for entry 2220868

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-(4-chlorophenylsulfonyl)-<i>N</i>-(3-oxo-2,3-dihydro-1,2-benzisothiazol-2-yl)benzenesulfonamide
• Formula: C19 H12 Cl2 N2 O5 S3
• Calculated formula: C19 H12 Cl2 N2 O5 S3
• SMILES: Clc1ccc(S(=O)(=O)N(S(=O)(=O)c2ccc(Cl)cc2)n2sc3c(c2=O)cccc3)cc1
• Title of publication: 4-Chloro-<i>N</i>-(4-chlorophenylsulfonyl)-<i>N</i>-(3-oxo-2,3-dihydro-1,2-benzisothiazol-2-yl)benzenesulfonamide
• Authors of publication: Rizzoli, Corrado; Vicini, Paola; Incerti, Matteo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o416 - o417
• a: 9.5358 ± 0.0012 Å
• b: 10.7757 ± 0.0014 Å
• c: 11.0393 ± 0.0014 Å
• α: 102.719 ± 0.002°
• β: 94.385 ± 0.003°
• γ: 105.598 ± 0.002°
• Cell volume: 1054.6 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0762
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes