Information card for entry 7246162

Structure parameters

• Formula: C9 H11 N O2 S
• Calculated formula: C9 H11 N O2 S
• Title of publication: Synthesis of aryloxyacetamides from arylboronic acids and 2-bromoacetonitrile promoted by alkaline solutions of hydrogen peroxide
• Authors of publication: Guo, Mengping; Li, Yingmin; Wen, Yongju; Shen, Xiuli
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 2631 - 2634
• a: 5.2907 ± 0.0009 Å
• b: 14.516 ± 0.002 Å
• c: 23.891 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1834.8 ± 0.5 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 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: 0.0576
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No