Information card for entry 2220487

Structure parameters

• Chemical name: 2-(1-Methylethoxy)-5-nitrophenyl N-methylcarbamate
• Formula: C11 H14 N2 O5
• Calculated formula: C11 H14 N2 O5
• SMILES: c1(cc(c(cc1)OC(C)C)OC(=O)NC)N(=O)=O
• Title of publication: 2-(1-Methylethoxy)-5-nitrophenyl <i>N</i>-methylcarbamate
• Authors of publication: Sang, Guang-Ming; Luo, Shi-Neng; Lin, Jian-Guo; Yang, Hai-Lin; Xia, Yong-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o47
• a: 5.034 ± 0.002 Å
• b: 10.4221 ± 0.0016 Å
• c: 12.6319 ± 0.0012 Å
• α: 91.361 ± 0.003°
• β: 97.492 ± 0.002°
• γ: 94.693 ± 0.001°
• Cell volume: 654.5 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0645
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes