Information card for entry 2223796

Structure parameters

• Chemical name: <i>N</i>-(4,6-Dimethylpyrimidin-2-yl)-4-(oxolan-2-ylamino)benzenesulfonamide
• Formula: C16 H20 N4 O3 S
• Calculated formula: C16 H20 N4 O3 S
• SMILES: S(=O)(=O)(Nc1nc(cc(n1)C)C)c1ccc(NC2OCCC2)cc1
• Title of publication: <i>N</i>-(4,6-Dimethylpyrimidin-2-yl)-4-(oxolan-2-ylamino)benzenesulfonamide
• Authors of publication: Arman, Hadi D.; Kaulgud, Trupta; Tiekink, Edward R. T.; Young, David J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2851
• a: 10.291 ± 0.005 Å
• b: 9.592 ± 0.004 Å
• c: 17.196 ± 0.008 Å
• α: 90°
• β: 106.445 ± 0.01°
• γ: 90°
• Cell volume: 1628 ± 1.3 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes