Information card for entry 2225118

Structure parameters

• Chemical name: Ethyl (<i>E</i>)-2-methoxyimino-2-(4-nitrobenzoyl)acetate
• Formula: C12 H12 N2 O6
• Calculated formula: C12 H12 N2 O6
• SMILES: c1(ccc(cc1)C(=O)C(=N\OC)/C(=O)OCC)N(=O)=O
• Title of publication: Ethyl (<i>E</i>)-2-methoxyimino-2-(4-nitrobenzoyl)acetate
• Authors of publication: Caracelli, Ignez; Moran, Paulo J. S.; Hinoue, Luciana; Zukerman-Schpector, Julio; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o396
• a: 7.5197 ± 0.0001 Å
• b: 7.5793 ± 0.0001 Å
• c: 12.3338 ± 0.0002 Å
• α: 83.264 ± 0.001°
• β: 73.731 ± 0.001°
• γ: 68.939 ± 0.001°
• Cell volume: 629.619 ± 0.016 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.035
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes