Information card for entry 2015919

Structure parameters

• Chemical name: Ethyl N-[2-(hydroxyacetyl)-4-iodophenyl]carbamate
• Formula: C11 H12 I N O4
• Calculated formula: C11 H12 I N O4
• SMILES: Ic1cc(c(NC(=O)OCC)cc1)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: 4.7535 ± 0.0002 Å
• b: 15.7179 ± 0.0004 Å
• c: 16.07 ± 0.0005 Å
• α: 90°
• β: 97.123 ± 0.002°
• γ: 90°
• Cell volume: 1191.4 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes