Information card for entry 2230267

Structure parameters

• Chemical name: Methyl <i>N</i>-(4-nitrophenyl)carbamate
• Formula: C8 H8 N2 O4
• Calculated formula: C8 H8 N2 O4
• SMILES: COC(=O)Nc1ccc(cc1)N(=O)=O
• Title of publication: Methyl <i>N</i>-(4-nitrophenyl)carbamate
• Authors of publication: Cai, Qun; Fei, Zhuan; Li, Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1494
• a: 7.4269 ± 0.0011 Å
• b: 8.1003 ± 0.0012 Å
• c: 8.5376 ± 0.0012 Å
• α: 101.634 ± 0.002°
• β: 97.914 ± 0.002°
• γ: 116.66 ± 0.002°
• Cell volume: 434.04 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0815
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes