Information card for entry 7159740

Structure parameters

• Formula: C13 H14 N2 O2 S2
• Calculated formula: C13 H14 N2 O2 S2
• SMILES: S(=O)(=O)(N)c1ccc(NSc2ccc(cc2)C)cc1
• Title of publication: Thiosuccinimide enabled S-N bond formation to access <i>N</i>-sulfenylated sulfonamide derivatives with synthetic diversity.
• Authors of publication: Wang, Peifeng; Li, Shan; Wen, Huiling; Lei, Yin; Huang, Shujuan; Wang, Zixiu; Su, Jialong; Guan, Wenxiang; Lei, Jian
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 5
• Pages of publication: 990 - 997
• a: 4.9499 ± 0.0003 Å
• b: 13.8952 ± 0.001 Å
• c: 20.1686 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1387.19 ± 0.17 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1147
• Residual factor for significantly intense reflections: 0.1028
• Weighted residual factors for significantly intense reflections: 0.2746
• Weighted residual factors for all reflections included in the refinement: 0.2893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No