Information card for entry 2018330

Structure parameters

• Common name: sulfapyridine dioxane solvate
• Chemical name: 4-amino-<i>N</i>-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide 1,3-dioxane monosolvate
• Formula: C15 H19 N3 O4 S
• Calculated formula: C15 H19 N3 O4 S
• Title of publication: Sulfapyridine (polymorph III), sulfapyridine dioxane solvate, sulfapyridine tetrahydrofuran solvate and sulfapyridine piperidine solvate, all at 173K
• Authors of publication: Pratt, Jamal; Hutchinson, Janna; Klein Stevens, Cheryl L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o487 - o491
• a: 9.0258 ± 0.001 Å
• b: 9.9264 ± 0.0012 Å
• c: 17.988 ± 0.002 Å
• α: 90°
• β: 100.72 ± 0.003°
• γ: 90°
• Cell volume: 1583.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes