Information card for entry 2244245

Structure parameters

• Chemical name: <i>N</i>-(5-Acetyl-4-methylpyrimidin-2-yl)benzenesulfonamide
• Formula: C13 H13 N3 O3 S
• Calculated formula: C13 H13 N3 O3 S
• Title of publication: Synthesis and crystal structure of <i>N</i>-(5-acetyl-4-methyl-pyrimidin-2-yl)benzene-sulfonamide.
• Authors of publication: Mohamed-Ezzat, Reham A; Kariuki, Benson M.; Azzam, Rasha A.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 4
• Pages of publication: 331 - 334
• a: 10.0699 ± 0.0006 Å
• b: 14.7429 ± 0.0006 Å
• c: 10.5212 ± 0.0007 Å
• α: 90°
• β: 113.9 ± 0.007°
• γ: 90°
• Cell volume: 1428.04 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0689
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes