Information card for entry 4511767

Structure parameters

• Formula: C27 H22 N2 O4 S
• Calculated formula: C27 H22 N2 O4 S
• SMILES: S(=O)(=O)(c1ccc(N)cc1)c1ccc(N)cc1.o1c2ccccc2c(=O)cc1c1ccccc1
• 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: 11.408 ± 0.002 Å
• b: 11.644 ± 0.003 Å
• c: 18.448 ± 0.004 Å
• α: 90°
• β: 101.324 ± 0.014°
• γ: 90°
• Cell volume: 2402.8 ± 0.9 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: 0.0723
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No