Information card for entry 2225764

Structure parameters

• Chemical name: <i>N</i>-(2,4-Dimethylphenyl)-2,4-dimethylbenzenesulfonamide
• Formula: C16 H19 N O2 S
• Calculated formula: C16 H19 N O2 S
• SMILES: c1(c(cc(cc1)C)C)S(=O)(=O)Nc1c(cc(cc1)C)C
• Title of publication: <i>N</i>-(2,4-Dimethylphenyl)-2,4-dimethylbenzenesulfonamide
• Authors of publication: Nirmala, P. G.; Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1059
• a: 8.225 ± 0.001 Å
• b: 8.423 ± 0.001 Å
• c: 10.992 ± 0.002 Å
• α: 85.58 ± 0.02°
• β: 88.97 ± 0.02°
• γ: 84.43 ± 0.01°
• Cell volume: 755.62 ± 0.19 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.0745
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.2288
• Weighted residual factors for all reflections included in the refinement: 0.2819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.356
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes