Information card for entry 2220818

Structure parameters

• Chemical name: Ethyl 4-ethylamino-3-nitrobenzoate
• Formula: C11 H14 N2 O4
• Calculated formula: C11 H14 N2 O4
• SMILES: O=N(=O)c1c(NCC)ccc(c1)C(=O)OCC
• Title of publication: Ethyl 4-ethylamino-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: 2
• Pages of publication: o227
• a: 4.236 ± 0.0008 Å
• b: 16.18 ± 0.003 Å
• c: 8.489 ± 0.0017 Å
• α: 90°
• β: 95.8 ± 0.03°
• γ: 90°
• Cell volume: 578.84 ± 0.19 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes