Information card for entry 2213350

Structure parameters

• Chemical name: Ethyl N-[2-(2-hydroxymethyl-1,3-dioxolan-2-yl)phenyl]carbamate
• Formula: C13 H17 N O5
• Calculated formula: C13 H17 N O5
• SMILES: c1(NC(=O)OCC)c(C2(OCCO2)CO)cccc1
• Title of publication: Ethyl <i>N</i>-[2-(2-hydroxymethyl-1,3-dioxolan-2-yl)phenyl]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 E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2453 - o2454
• a: 7.4469 ± 0.0002 Å
• b: 20.2814 ± 0.0006 Å
• c: 8.3443 ± 0.0003 Å
• α: 90°
• β: 94.14 ± 0.0017°
• γ: 90°
• Cell volume: 1256.98 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0524
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes