Information card for entry 7133187

Structure parameters

• Chemical name: 2<i>H</i>,4<i>H</i>- 2,2-Dimethyl-4-hydroxy-benzo[<i>b</i>]-1,4-oxazin-3-one
• Formula: C10 H11 N O3
• Calculated formula: C10 H11 N O3
• Title of publication: Simple electrochemical synthesis of cyclic hydroxamic acids by reduction of nitroarenes.
• Authors of publication: Winter, Johannes; Lühr, Susan; Hochadel, Kyra; Gálvez-Vázquez, María de Jesús; Prenzel, Tobias; Schollmeyer, Dieter; Waldvogel, Siegfried R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 55
• Pages of publication: 7065 - 7068
• a: 9.9227 ± 0.0007 Å
• b: 5.672 ± 0.0005 Å
• c: 16.1656 ± 0.0012 Å
• α: 90°
• β: 99.498 ± 0.006°
• γ: 90°
• Cell volume: 897.35 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0455
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No