Information card for entry 7243301

Structure parameters

• Formula: C22 H28 N2 O6 S2
• Calculated formula: C22 H28 N2 O6 S2
• SMILES: S(=O)(=O)([O-])C[C@]12C(=O)C[C@H](CC1)C2(C)C.S(=O)(=O)(c1ccc(N)cc1)c1ccc([NH3+])cc1.S(=O)(=O)([O-])C[C@@]12C(=O)C[C@@H](CC1)C2(C)C.S(=O)(=O)(c1ccc(N)cc1)c1ccc([NH3+])cc1
• Title of publication: New insight into improving the solubility of poorly soluble drugs by preventing the formation of their hydrogen-bonds: a case of dapsone salts with camphorsulfonic and 5-sulfosalicylic acid
• Authors of publication: Wu, Yanhui; Hao, Xiujia; Li, Jianting; Guan, Aiying; Zhou, Zhengzheng; Guo, Fang
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 35
• Pages of publication: 6191 - 6198
• a: 6.3273 ± 0.0004 Å
• b: 12.3383 ± 0.0007 Å
• c: 29.2787 ± 0.0016 Å
• α: 90°
• β: 95.255 ± 0.002°
• γ: 90°
• Cell volume: 2276.1 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.1799
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.223
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No