Information card for entry 2234423

Structure parameters

• Chemical name: <i>N</i>-(2-Aminopyridin-3-yl)-4-methyl-<i>N</i>-(4- methylphenylsulfonyl)benzenesulfonamide
• Formula: C19 H19 N3 O4 S2
• Calculated formula: C19 H19 N3 O4 S2
• SMILES: S(=O)(=O)(N(S(=O)(=O)c1ccc(cc1)C)c1cccnc1N)c1ccc(cc1)C
• Title of publication: <i>N</i>-(2-Aminopyridin-3-yl)-4-methyl-<i>N</i>-(4-methylphenylsulfonyl)benzenesulfonamide
• Authors of publication: Taher, Abu; Smith, Vincent J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1136
• a: 8.6343 ± 0.0015 Å
• b: 9.6486 ± 0.0017 Å
• c: 12.701 ± 0.002 Å
• α: 111.324 ± 0.002°
• β: 90.109 ± 0.002°
• γ: 98.097 ± 0.002°
• Cell volume: 974.2 ± 0.3 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102 ± 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: 0.0322
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes