Information card for entry 1520160

Structure parameters

• Chemical name: Ethyl 3-acetamidobenzoate
• Formula: C11 H13 N O3
• Calculated formula: C11 H13 N O3
• SMILES: c1(cc(ccc1)C(=O)OCC)NC(=O)C
• Title of publication: Ethyl-3-acetamidobenzoate
• Authors of publication: Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 1374
• a: 5.7366 ± 0.0002 Å
• b: 8.5492 ± 0.0005 Å
• c: 10.6373 ± 0.0006 Å
• α: 93.974 ± 0.002°
• β: 99.351 ± 0.003°
• γ: 95.314 ± 0.003°
• Cell volume: 510.65 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0579
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No