Information card for entry 4510204

Structure parameters

• Formula: C21 H18 N4 O9 S
• Calculated formula: C21 H18 N4 O9 S
• SMILES: c1(c(cccc1)C(=O)Nc1sc(cn1)N(=O)=O)OC(=O)C.OC(=O)c1c(O)ccc(O)c1.CC#N
• 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: 7.5051 ± 0.0014 Å
• b: 11.468 ± 0.002 Å
• c: 13.694 ± 0.003 Å
• α: 83.123 ± 0.003°
• β: 84.66 ± 0.003°
• γ: 82.833 ± 0.004°
• Cell volume: 1157.3 ± 0.4 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: 0.1062
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No