Information card for entry 7160952

Structure parameters

• Formula: C12 H11 N2 O4 S
• Calculated formula: C12 H10 N2 O4 S
• Title of publication: Cu-catalyzed N-S bond coupling between hydroxylamines and sulfinic acids: rapid access to <i>N</i>-arylsulfonamides.
• Authors of publication: Zhu, Lin; Wang, Yang; Guo, Han; Liu, Rui; Wang, Yu; Dang, Meng-Yun; Hu, Feng-Lan; Han, Wen-Jun; Zhan, Jun-Long; Lv, Yunhe
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 5
• Pages of publication: 1021 - 1026
• a: 5.1939 ± 0.0003 Å
• b: 12.7888 ± 0.0009 Å
• c: 18.676 ± 0.0013 Å
• α: 90°
• β: 93.318 ± 0.002°
• γ: 90°
• Cell volume: 1238.45 ± 0.14 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No