Information card for entry 2212545

Structure parameters

• Chemical name: Methyl [(1E)-(4-methoxyphenyl)methyleneamino]acetate
• Formula: C11 H13 N O3
• Calculated formula: C11 H13 N O3
• SMILES: O(C)c1ccc(cc1)/C=N/CC(=O)OC
• Title of publication: Methyl [(1<i>E</i>)-(4-methoxyphenyl)methyleneamino]acetate
• Authors of publication: Hector Novoa de Armas; Enriquez Ruiz Reyes; Esperanza Salfrán Solano; Margarita Suárez Navarro; Norbert Blaton
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1459 - o1461
• a: 11.6716 ± 0.0004 Å
• b: 7.6043 ± 0.0003 Å
• c: 12.04 ± 0.0004 Å
• α: 90°
• β: 92.776 ± 0.004°
• γ: 90°
• Cell volume: 1067.35 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0565
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes