Information card for entry 4511766

Structure parameters

• Formula: C20 H22 N6 O4 S
• Calculated formula: C20 H22 N6 O4 S
• SMILES: S(=O)(=O)(c1ccc(N)cc1)c1ccc(N)cc1.O=C1N(C)c2c(n(cn2)C)C(=O)N1C
• Title of publication: Preparation and Solid-State Characterization of Dapsone Drug‒Drug Co-Crystals
• Authors of publication: Jiang, Linglei; Huang, Ying; Zhang, Qi; He, Hongyan; Xu, Yun; Mei, Xuefeng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 4562
• a: 8.5613 ± 0.0006 Å
• b: 15.6676 ± 0.0009 Å
• c: 32.2872 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4330.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0848
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1747
• Weighted residual factors for all reflections included in the refinement: 0.1923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No