Information card for entry 2010167

Structure parameters

• Common name: CAROXAZONE
• Chemical name: 2-oxo-2H-1, 3-benzoxazine 3(4H)-acetamide
• Formula: C10 H10 N2 O3
• Calculated formula: C10 H10 N2 O3
• SMILES: O=C1Oc2c(CN1CC(=O)N)cccc2
• Title of publication: The molecular structure of caroxazone, a reversible monoamine oxidase inhibitor
• Authors of publication: Wouters, Johan; Evrard, Guy; Durant, Francois
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 1774 - 1777
• a: 8.0934 ± 0.001 Å
• b: 19.998 ± 0.003 Å
• c: 11.926 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1930.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for all reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.0852
• Goodness-of-fit parameter for all reflections: 0.909
• Goodness-of-fit parameter for significantly intense reflections: 0.903
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No