Information card for entry 2213188

Structure parameters

• Chemical name: Benzyl (2-formylphenyl)carbamate
• Formula: C15 H13 N O3
• Calculated formula: C15 H13 N O3
• SMILES: O=Cc1ccccc1NC(=O)OCc1ccccc1
• Title of publication: Benzyl <i>N</i>-(2-formylphenyl)carbamate
• Authors of publication: Walji, Dhiran V. B.; Storey, John M. D.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2120 - o2121
• a: 12.5862 ± 0.0008 Å
• b: 6.795 ± 0.0004 Å
• c: 15.8427 ± 0.001 Å
• α: 90°
• β: 108.386 ± 0.001°
• γ: 90°
• Cell volume: 1285.75 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0805
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes