Information card for entry 2235099

Structure parameters

• Chemical name: Ethyl 4-anilino-3-nitrobenzoate
• Formula: C15 H14 N2 O4
• Calculated formula: C15 H14 N2 O4
• SMILES: O(C(=O)c1cc(N(=O)=O)c(Nc2ccccc2)cc1)CC
• Title of publication: Ethyl 4-anilino-3-nitrobenzoate
• Authors of publication: Yoon, Yeong Keng; Manogaran, Elumalai; Ali, Mohamed Ashraf; Arshad, Suhana; Razak, Ibrahim Abdul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1684
• a: 10.6464 ± 0.0002 Å
• b: 9.9178 ± 0.0002 Å
• c: 14.7885 ± 0.0002 Å
• α: 90°
• β: 120.244 ± 0.001°
• γ: 90°
• Cell volume: 1348.96 ± 0.04 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0752
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes