Information card for entry 1568131

Structure parameters

• Chemical name: N-(4-cyanophenyl)-N-hydroxymethanesulfonamide
• Formula: C8 H8 N2 O3 S
• Calculated formula: C8 H8 N2 O3 S
• Title of publication: EDA mediated S-N bond coupling of nitroarenes and sodium sulfinate salts.
• Authors of publication: Lasso, Juan D.; Castillo-Pazos, Durbis J; Sim, Malcolm; Barroso-Flores, Joaquín; Li, Chao-Jun
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 525 - 532
• a: 8.2861 ± 0.0015 Å
• b: 5.4731 ± 0.001 Å
• c: 20.821 ± 0.004 Å
• α: 90°
• β: 93.606 ± 0.005°
• γ: 90°
• Cell volume: 942.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0342
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No