Information card for entry 2211949

Structure parameters

• Chemical name: 4-Benzyloxy-2-nitroaniline
• Formula: C13 H12 N2 O3
• Calculated formula: C13 H12 N2 O3
• SMILES: c1(c(ccc(c1)OCc1ccccc1)N)N(=O)=O
• Title of publication: 4-Benzyloxy-2-nitroaniline
• Authors of publication: Wei Huang; Hong-Bin Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o105 - o106
• a: 5.7578 ± 0.0012 Å
• b: 26.192 ± 0.006 Å
• c: 7.7338 ± 0.0016 Å
• α: 90°
• β: 90.159 ± 0.004°
• γ: 90°
• Cell volume: 1166.3 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0666
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes