Information card for entry 2218532

Structure parameters

• Chemical name: Dimethyl 2-(methylaminomethylene)malonate
• Formula: C7 H11 N O4
• Calculated formula: C7 H11 N O4
• SMILES: C(=O)(C(C(=O)OC)=CNC)OC
• Title of publication: Dimethyl 2-(methylaminomethylene)malonate
• Authors of publication: Gróf, Martin; Kožíšek, Jozef; Milata, Viktor; Gatial, Anton
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1133 - o1134
• a: 11.165 ± 0.002 Å
• b: 12.073 ± 0.002 Å
• c: 13.211 ± 0.003 Å
• α: 113.7 ± 0.03°
• β: 93.71 ± 0.03°
• γ: 94.02 ± 0.03°
• Cell volume: 1618.1 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1937
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.2255
• Weighted residual factors for all reflections included in the refinement: 0.2568
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes