Information card for entry 2209459

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: c1(ccc(cc1)S(=O)(=O)N=C1NC=CS1)N.c1ccccn1
• Title of publication: Tetragonal 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: o2669 - o2671
• a: 8.67 ± 0.002 Å
• b: 8.67 ± 0.002 Å
• c: 20.927 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1573.1 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.1216
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes