Information card for entry 2018331

Structure parameters

• Common name: sulfapyridine tetrahydrofuran solvate
• Chemical name: 4-amino-<i>N</i>-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide tetrahydrofuran monosolvate
• Formula: C15 H19 N3 O3 S
• Calculated formula: C15 H19 N3 O3 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: 11.212 ± 0.002 Å
• b: 12.449 ± 0.002 Å
• c: 11.6209 ± 0.0019 Å
• α: 90°
• β: 99.888 ± 0.005°
• γ: 90°
• Cell volume: 1597.9 ± 0.5 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: 0.0664
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes