Information card for entry 2020205

Structure parameters

• Common name: sulfameter dioxane solvate
• Chemical name: 4-Amino-<i>N</i>-(5-methoxypyrimidin-2-yl)benzenesulfonamide 1,4-dioxane monosolvate
• Formula: C15 H20 N4 O5 S
• Calculated formula: C15 H20 N4 O5 S
• SMILES: S(=O)(=O)(Nc1ncc(OC)cn1)c1ccc(N)cc1.O1CCOCC1
• Title of publication: Hirshfeld surface analysis of sulfameter (polymorph III), sulfameter dioxane monosolvate and sulfameter tetrahydrofuran monosolvate, all at 296K
• Authors of publication: Tailor, Sanjay M.; Patel, Urmila H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• a: 8.0609 ± 0.0003 Å
• b: 19.5195 ± 0.0007 Å
• c: 11.2668 ± 0.0004 Å
• α: 90°
• β: 98.672 ± 0.001°
• γ: 90°
• Cell volume: 1752.5 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0848
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.223
• Weighted residual factors for all reflections included in the refinement: 0.2413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes