Information card for entry 2018332

Structure parameters

• Common name: Sulfapyridine piperidine solvate
• Chemical name: piperidin-1-ium 4-amino-<i>N</i>-(pyridin-2-yl)benzenesulfonamidate
• Formula: C16 H22 N4 O2 S
• Calculated formula: C16 H22 N4 O2 S
• SMILES: S(=O)([O-])(=Nc1ncccc1)c1ccc(N)cc1.[NH2+]1CCCCC1
• 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: 8.6639 ± 0.0016 Å
• b: 12.586 ± 0.002 Å
• c: 15.833 ± 0.003 Å
• α: 90°
• β: 105.447 ± 0.006°
• γ: 90°
• Cell volume: 1664.1 ± 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: 0.0576
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes