Information card for entry 7221595

Structure parameters

• Formula: C42 H32 N2 O6 S
• Calculated formula: C42 H32 N2 O6 S
• SMILES: S(=O)(=O)(c1ccc(N)cc1)c1ccc(N)cc1.O=C1c2c(OC(c3ccccc3)=C1)cccc2.O=C1C=C(Oc2c1cccc2)c1ccccc1
• Title of publication: Polymorphism observed in dapsone‒flavone cocrystals that present pronounced differences in solubility and stability
• Authors of publication: He, Hongyan; Jiang, Linglei; Zhang, Qi; Huang, Ying; Wang, Jian-Rong; Mei, Xuefeng
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 34
• Pages of publication: 6566
• a: 11.4461 ± 0.0014 Å
• b: 11.5142 ± 0.0014 Å
• c: 27.13 ± 0.004 Å
• α: 102.158 ± 0.008°
• β: 94.726 ± 0.008°
• γ: 91.906 ± 0.007°
• Cell volume: 3478.8 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1721
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No