Information card for entry 2231741

Structure parameters

• Chemical name: 4-(3,7-Dimethyl-4-oxo-4,5- dihydroisoxazolo[4,5-<i>d</i>]pyridazin-5-yl)benzenesulfonamide
• Formula: C13 H12 N4 O4 S
• Calculated formula: C13 H12 N4 O4 S
• SMILES: S(=O)(=O)(N)c1ccc(n2nc(C)c3onc(c3c2=O)C)cc1
• Title of publication: 4-(3,7-Dimethyl-4-oxo-4,5-dihydroisoxazolo[4,5-<i>d</i>]pyridazin-5-yl)benzenesulfonamide
• Authors of publication: Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Youbi, Abdulrahman O.; Obaid, Abdullah.Y.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2466
• a: 18.0113 ± 0.0004 Å
• b: 35.5302 ± 0.0011 Å
• c: 8.29 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5305.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes