Information card for entry 2235872

Structure parameters

• Chemical name: Methyl 2-(4-methoxy-3-nitrobenzamido)acetate
• Formula: C11 H12 N2 O6
• Calculated formula: C11 H12 N2 O6
• SMILES: O(c1c(N(=O)=O)cc(cc1)C(=O)NCC(=O)OC)C
• Title of publication: Methyl 2-(4-methoxy-3-nitrobenzamido)acetate
• Authors of publication: Zhu, Xin; Ma, Qiujuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2343
• a: 10.4378 ± 0.0007 Å
• b: 13.911 ± 0.0009 Å
• c: 17.542 ± 0.0015 Å
• α: 90°
• β: 106.146 ± 0.008°
• γ: 90°
• Cell volume: 2446.6 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0664
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes