Information card for entry 7153245

Structure parameters

• Common name: N-Acetoxy-2,6-dichloro-benzamide
• Chemical name: N-Acetoxy-2,6-dichloro-benzamide
• Formula: C9 H7 Cl2 N O3
• Calculated formula: C9 H7 Cl2 N O3
• SMILES: Clc1c(c(Cl)ccc1)C(=O)NOC(=O)C
• Title of publication: Hypervalent iodine(III)-mediated oxidation of aldoximes to N-acetoxy or N-hydroxy amides.
• Authors of publication: Ghosh, Harisadhan; Patel, Bhisma K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 384 - 390
• a: 9.8316 ± 0.0004 Å
• b: 12.1236 ± 0.0005 Å
• c: 8.8033 ± 0.0003 Å
• α: 90°
• β: 92.17 ± 0.002°
• γ: 90°
• Cell volume: 1048.55 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No