Information card for entry 4511770

Structure parameters

• Formula: C24 H28 N6 O6 S3
• Calculated formula: C24 H28 N6 O6 S3
• SMILES: S(=O)(=O)(N)c1ccc(N)cc1.S(=O)(=O)(c1ccc(N)cc1)c1ccc(N)cc1.S(=O)(=O)(N)c1ccc(N)cc1
• 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: 13.2304 ± 0.0002 Å
• b: 30.2578 ± 0.0005 Å
• c: 13.691 ± 0.0003 Å
• α: 90°
• β: 102.448 ± 0.001°
• γ: 90°
• Cell volume: 5351.98 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No