Information card for entry 2225235

Structure parameters

• Common name: N-methylisotoic anhydride
• Chemical name: 1-Methyl-4<i>H</i>-3,1-benzoxazine-2,4(1<i>H</i>)dione
• Formula: C9 H7 N O3
• Calculated formula: C9 H7 N O3
• Title of publication: 1-Methyl-4<i>H</i>-3,1-benzoxazine-2,4(1<i>H</i>)dione
• Authors of publication: Deifel, Nicholas P.; Cherney, Emily; Hunt, David A.; Chan, Benny C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o665
• a: 7.632 ± 0.002 Å
• b: 8.818 ± 0.002 Å
• c: 11.719 ± 0.003 Å
• α: 90°
• β: 93.599 ± 0.004°
• γ: 90°
• Cell volume: 787.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes