Information card for entry 2220888

Structure parameters

• Chemical name: 2-Isopropoxyphenyl <i>N</i>-methylcarbamate
• Formula: C11 H15 N O3
• Calculated formula: C11 H15 N O3
• SMILES: N(C(=O)Oc1c(OC(C)C)cccc1)C
• Title of publication: 2-Isopropoxyphenyl <i>N</i>-methylcarbamate
• Authors of publication: Wu, Jun; Xie, Min-Hao; Luo, Shi-Neng; Zou, Pei; He, Yong-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o381
• a: 13.275 ± 0.003 Å
• b: 8.889 ± 0.0018 Å
• c: 9.931 ± 0.002 Å
• α: 90°
• β: 90.59 ± 0.03°
• γ: 90°
• Cell volume: 1171.8 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes