Information card for entry 2218326

Structure parameters

• Chemical name: Dimethyl 2-(aminomethylene)malonate
• Formula: C6 H9 N O4
• Calculated formula: C6 H9 N O4
• SMILES: O(C(=O)C(=CN)C(=O)OC)C
• Title of publication: Dimethyl 2-(aminomethylene)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: o998
• a: 9.341 ± 0.0019 Å
• b: 6.9 ± 0.0014 Å
• c: 11.725 ± 0.002 Å
• α: 90°
• β: 97.58 ± 0.03°
• γ: 90°
• Cell volume: 749.1 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.122
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.2357
• Weighted residual factors for all reflections included in the refinement: 0.2606
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes