Information card for entry 2234763

Structure parameters

• Common name: Tizoxanide pyridine monosolvate
• Chemical name: 2-Hydroxy-<i>N</i>-(5-nitro-1,3-thiazol-2-yl)benzamide pyridine monosolvate
• Formula: C15 H12 N4 O4 S
• Calculated formula: C15 H12 N4 O4 S
• SMILES: s1c(N(=O)=O)cnc1NC(=O)c1c(cccc1)O.n1ccccc1
• Title of publication: Tizoxanide pyridine monosolvate
• Authors of publication: Zheng, Huaqin; Deng, Hui; Chen, Yunyun; Li, Ding
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1453 - o1454
• a: 6.9826 ± 0.0003 Å
• b: 10.0462 ± 0.0005 Å
• c: 11.8387 ± 0.0007 Å
• α: 102.998 ± 0.005°
• β: 99.037 ± 0.005°
• γ: 104.367 ± 0.004°
• Cell volume: 763.69 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes