Information card for entry 4510206

Structure parameters

• Formula: C17 H17 N3 O9 S
• Calculated formula: C17 H17 N3 O9 S
• SMILES: c1(c(cccc1)C(=O)Nc1sc(cn1)N(=O)=O)OC(=O)C.OC(=O)CCCC(=O)O
• Title of publication: Nitazoxanide Cocrystals in Combination with Succinic, Glutaric, and 2,5-Dihydroxybenzoic Acid
• Authors of publication: Félix-Sonda, Brenda C.; Rivera-Islas, Jesús; Herrera-Ruiz, Dea; Morales-Rojas, Hugo; Höpfl, Herbert
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 1086
• a: 12.37 ± 0.004 Å
• b: 5.0586 ± 0.0015 Å
• c: 31.715 ± 0.009 Å
• α: 90°
• β: 94.495 ± 0.006°
• γ: 90°
• Cell volume: 1978.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1026
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1637
• 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