Information card for entry 1519902

Structure parameters

• Chemical name: methyl 4-acetamidobenzoate
• Formula: C10 H11 N O3
• Calculated formula: C10 H11 N O3
• SMILES: c1(ccc(cc1)C(=O)OC)NC(=O)C
• Title of publication: Methyl 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: 1395
• a: 17.5403 ± 0.0005 Å
• b: 13.763 ± 0.0003 Å
• c: 7.7717 ± 0.0002 Å
• α: 90°
• β: 101.876 ± 0.001°
• γ: 90°
• Cell volume: 1835.99 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No