Information card for entry 7224523

Structure parameters

• Formula: C19 H19 N5 O5 S2
• Calculated formula: C19 H19 N5 O5 S2
• SMILES: S(=O)(=O)(Nc1[nH+]c(C)cc(n1)C)c1ccc(N)cc1.S1(=O)([O-])=NC(=O)c2ccccc12
• Title of publication: Pharmaceutical Crystalline Complexes of Sulfamethazine with Saccharin: Same Interaction Site but Different Ionization States
• Authors of publication: Fu, Xue; Li, Jianhui; Wang, Lianyan; Wu, Bing; Xu, Xu; Deng, Zongwu; Zhang, Hailu
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.5425 ± 0.0003 Å
• b: 16.0431 ± 0.0004 Å
• c: 25.3246 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4283.26 ± 0.19 ų
• Cell temperature: 220 ± 0.1 K
• Ambient diffraction temperature: 220 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No