Information card for entry 2210004

Structure parameters

• Chemical name: Methyl 2-(methoxyacetylamino)benzoate
• Formula: C11 H13 N O4
• Calculated formula: C11 H13 N O4
• SMILES: O(C)C(=O)c1ccccc1NC(=O)COC
• Title of publication: Methyl 2-(methoxyacetylamino)benzoate
• Authors of publication: Qing-Xiang Liu; Feng-Jin Cheng; Li-Na Yin; Jian-Hua Guo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3374 - o3375
• a: 7.149 ± 0.004 Å
• b: 8.649 ± 0.005 Å
• c: 9.973 ± 0.005 Å
• α: 67.462 ± 0.005°
• β: 89.982 ± 0.007°
• γ: 78.35 ± 0.007°
• Cell volume: 555.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes