Information card for entry 2011620

Structure parameters

• Common name: p-Toluenesulfon-(2-p-tolylthio)anilide
• Chemical name: 4-methyl-N-[2-(p-tolylsulfanyl)phenyl]benzenesulfonamide
• Formula: C20 H19 N O2 S2
• Calculated formula: C20 H19 N O2 S2
• SMILES: S(=O)(=O)(Nc1ccccc1Sc1ccc(cc1)C)c1ccc(C)cc1
• Title of publication: 4-Methyl-<i>N</i>-[2-(<i>p</i>-tolylsulfanyl)phenyl]benzenesulfonamide
• Authors of publication: Banerjee, Surajit; Mukherjee, Alok K.; Nandi, Bidisha; Kundu, Nitya G.; Helliwell, Madeleine
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1490 - 1491
• a: 10.53 ± 0.004 Å
• b: 11.873 ± 0.003 Å
• c: 8.798 ± 0.004 Å
• α: 90.76 ± 0.04°
• β: 113.31 ± 0.04°
• γ: 112.05 ± 0.02°
• Cell volume: 919.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0645
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No