Information card for entry 2210361

Structure parameters

• Chemical name: 5-(Aminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
• Formula: C7 H9 N O4
• Calculated formula: C7 H9 N O4
• SMILES: C(=C1C(=O)OC(C)(C)OC1=O)N
• Title of publication: 5-(Aminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
• Authors of publication: Silva, Luiz Everson da; Joussef, Antonio Carlos; Silva, Luciano Luiz; Foro, Sabine; Schmidt, Boris
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3866 - o3867
• a: 9.83 ± 0.001 Å
• b: 9.609 ± 0.001 Å
• c: 16.819 ± 0.002 Å
• α: 90°
• β: 90.95 ± 0.01°
• γ: 90°
• Cell volume: 1588.4 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes