Information card for entry 2209403

Structure parameters

• Common name: sulfathiazole adduct with pyridine, tetragonal form
• Chemical name: sulfathiazole–pyridine (1/1)
• Formula: C14 H14 N4 O2 S2
• Calculated formula: C14 H14 N4 O2 S2
• SMILES: S(=O)(=O)(c1ccc(cc1)N)N=C1SC=CN1.n1ccccc1
• Title of publication: Monoclinic polymorph of the 1:1 adduct of sulfathiazole with pyridine
• Authors of publication: Tatiana N. Drebushchak; Mikhail A. Mikhailenko; Elena V. Boldyreva; Tatyana P. Shakhtshneider
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2707 - o2709
• a: 8.385 ± 0.003 Å
• b: 9.272 ± 0.002 Å
• c: 20.704 ± 0.008 Å
• α: 90°
• β: 100.1 ± 0.03°
• γ: 90°
• Cell volume: 1584.7 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.069
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes