Information card for entry 2212516

Structure parameters

• Chemical name: 4-(2-methoxy-4-nitrophenyl)morpholine-3,5-dione
• Formula: C11 H10 N2 O6
• Calculated formula: C11 H10 N2 O6
• SMILES: N(=O)(=O)c1cc(OC)c(N2C(=O)COCC2=O)cc1
• Title of publication: 4-(2-Methoxy-4-nitrophenyl)morpholine-3,5-dione
• Authors of publication: Bhuiyan, M. Delower H.; Jensen, Paul; Turner, Peter; Try, Andrew C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1115 - o1116
• a: 7.526 ± 0.002 Å
• b: 7.554 ± 0.002 Å
• c: 10.259 ± 0.003 Å
• α: 100.46 ± 0.004°
• β: 102.539 ± 0.004°
• γ: 94.732 ± 0.004°
• Cell volume: 555.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes