Information card for entry 7245621

Structure parameters

• Formula: C13 H10 N2 O3 S
• Calculated formula: C13 H10 N2 O3 S
• Title of publication: Electrochemically driven oxidative C–H/N–H cross-coupling reactions of cyclic sulfamidate imines with primary anilines and secondary amines
• Authors of publication: Wang, Hai-Xia; Li, Zhi-Hao; Li, Wan-Wan; Qu, Gui-Rong; Yang, Qi-Liang; Guo, Hai-Ming
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 21
• Pages of publication: 8377 - 8385
• a: 6.9208 ± 0.0009 Å
• b: 7.4115 ± 0.0006 Å
• c: 11.9359 ± 0.0012 Å
• α: 101.965 ± 0.007°
• β: 90.131 ± 0.009°
• γ: 92.439 ± 0.008°
• Cell volume: 598.35 ± 0.11 ų
• Cell temperature: 169.99 ± 0.1 K
• Ambient diffraction temperature: 169.99 ± 0.1 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: 0.1294
• Residual factor for significantly intense reflections: 0.1261
• Weighted residual factors for significantly intense reflections: 0.3218
• Weighted residual factors for all reflections included in the refinement: 0.3232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No