Information card for entry 2001720

Structure parameters

• Formula: C10 H13 N O3
• Calculated formula: C10 H13 N O3
• SMILES: CCN/C(=C1/C(=O)OC(=CC1=O)C)C
• Title of publication: 3-[1-(Ethylamino)ethylidene]-6-methyl-3<i>H</i>-pyran-2,4-dione
• Authors of publication: Xiao, G.; van der Helm, D.; Hider, R. C.; Dobbin, P. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 5
• Pages of publication: 980 - 982
• a: 5.0846 ± 0.0002 Å
• b: 27.374 ± 0.001 Å
• c: 7.4008 ± 0.0003 Å
• α: 90°
• β: 109.528 ± 0.003°
• γ: 90°
• Cell volume: 970.83 ± 0.07 ų
• Cell temperature: 138 ± 2 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.059
• Goodness-of-fit parameter for significantly intense reflections: 2.6
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No