Information card for entry 7119373

Structure parameters

• Common name: Sulfapyridine DMSO solvate
• Formula: C13 H17 N3 O3 S2
• Calculated formula: C13 H17 N3 O3 S2
• SMILES: S(=O)(=O)(c1ccc(N)cc1)N=c1[nH]cccc1.S(=O)(C)C
• Title of publication: Pharmaceutical crystallization with nanocellulose organogels
• Authors of publication: Celia; Ruiz-Palomero; Stuart; R.; Kennedy; M.; Laura; Soriano; Christopher; D.; Jones; Miguel; Valcarcel; Jonathan; W.; Steed
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7782
• a: 10.4816 ± 0.0005 Å
• b: 12.7531 ± 0.0005 Å
• c: 22.3603 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2989 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0968
• 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: No