Information card for entry 2015920

Structure parameters

• Chemical name: Ethyl N-[2-(hydroxyacetyl)-4-methylphenyl]carbamate
• Formula: C12 H15 N O4
• Calculated formula: C12 H15 N O4
• SMILES: O=C(OCC)Nc1c(cc(cc1)C)C(=O)CO
• Title of publication: Ethyl <i>N</i>-[2-(hydroxyacetyl)phenyl]carbamate, ethyl <i>N</i>-[2-(hydroxyacetyl)-4-iodophenyl]carbamate and ethyl <i>N</i>-[2-(hydroxyacetyl)-4-methylphenyl]carbamate
• Authors of publication: Garden, Simon J.; Corrêa, Marilza B.; Pinto, Angelo C.; Wardell, James L.; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o234 - o238
• a: 7.085 ± 0.007 Å
• b: 10.711 ± 0.011 Å
• c: 15.587 ± 0.016 Å
• α: 87.916 ± 0.011°
• β: 80.861 ± 0.013°
• γ: 89.664 ± 0.011°
• Cell volume: 1167 ± 2 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: 0.1117
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.2284
• Weighted residual factors for all reflections included in the refinement: 0.2454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.7848 Å
• Diffraction radiation type: synchrotron(Clegg,2000)
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes