Information card for entry 2220542

Structure parameters

• Chemical name: Ethyl 4-anilino-3-nitrobenzoate
• Formula: C15 H14 N2 O4
• Calculated formula: C15 H14 N2 O4
• SMILES: O(CC)C(=O)c1cc(N(=O)=O)c(Nc2ccccc2)cc1
• Title of publication: Ethyl 4-anilino-3-nitrobenzoate
• Authors of publication: Li, Hao-Yuan; Liu, Bo-Nian; Tang, Shi-Gui; Guo, Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o91
• a: 10.683 ± 0.002 Å
• b: 9.905 ± 0.002 Å
• c: 13.698 ± 0.003 Å
• α: 90°
• β: 105.05 ± 0.03°
• γ: 90°
• Cell volume: 1399.7 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1185
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes