Information card for entry 2236905

Structure parameters

• Chemical name: <i>N</i>-(4-Aminopyrimidin-5-yl)-4-methyl-<i>N</i>-(4- methylphenylsulfonyl)benzenesulfonamide
• Formula: C18 H18 N4 O4 S2
• Calculated formula: C18 H18 N4 O4 S2
• Title of publication: <i>N</i>-(4-Aminopyrimidin-5-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: 12
• Pages of publication: o3362
• a: 36.559 ± 0.009 Å
• b: 6.9044 ± 0.0018 Å
• c: 15.524 ± 0.004 Å
• α: 90°
• β: 103.852 ± 0.003°
• γ: 90°
• Cell volume: 3804.6 ± 1.7 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes