Information card for entry 1519889

Structure parameters

• Chemical name: ethyl 4-acetamidobenzoate
• Formula: C11 H13 N O3
• Calculated formula: C11 H13 N O3
• SMILES: c1(ccc(cc1)C(=O)OCC)NC(=O)C
• Title of publication: Ethyl 4-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: 1396
• a: 8.4447 ± 0.0003 Å
• b: 19.281 ± 0.0012 Å
• c: 7.3108 ± 0.0005 Å
• α: 90°
• β: 117.051 ± 0.004°
• γ: 90°
• Cell volume: 1060.14 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No