Information card for entry 2231052

Structure parameters

• Chemical name: Diethyl 2-{[(4-methoxy-3-pyridyl)amino]methylidene}malonate
• Formula: C14 H18 N2 O5
• Calculated formula: C14 H18 N2 O5
• SMILES: O(c1ccncc1NC=C(C(=O)OCC)C(=O)OCC)C
• Title of publication: Diethyl 2-{[(4-methoxy-3-pyridyl)amino]methylidene}malonate
• Authors of publication: Zhang, Zhi-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1946
• a: 19.012 ± 0.004 Å
• b: 8.662 ± 0.0017 Å
• c: 9.16 ± 0.0018 Å
• α: 90°
• β: 94.08 ± 0.03°
• γ: 90°
• Cell volume: 1504.7 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.117
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes