Information card for entry 4511765

Structure parameters

• Formula: C19 H17 N3 O3 S2
• Calculated formula: C19 H17 N3 O3 S2
• SMILES: S(=O)(=O)(c1ccc(N)cc1)c1ccc(N)cc1.S1C(=O)Nc2ccccc12
• 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: 5.8452 ± 0.0004 Å
• b: 14.3835 ± 0.0009 Å
• c: 21.7712 ± 0.0013 Å
• α: 90°
• β: 92.205 ± 0.003°
• γ: 90°
• Cell volume: 1829 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.262
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No