Information card for entry 2228949

Structure parameters

• Chemical name: Ethyl 2-(2-hydroxy-5-nitrophenyl)acetate
• Formula: C10 H11 N O5
• Calculated formula: C10 H11 N O5
• SMILES: N(=O)(=O)c1cc(CC(=O)OCC)c(O)cc1
• Title of publication: Ethyl 2-(2-hydroxy-5-nitrophenyl)acetate
• Authors of publication: Guo, Bing; Shi, Ya-Bin; Yao, Jin-Hua; Guan, Jian-Ning
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o509
• a: 11.066 ± 0.002 Å
• b: 10.86 ± 0.002 Å
• c: 8.697 ± 0.0017 Å
• α: 90°
• β: 97.85 ± 0.03°
• γ: 90°
• Cell volume: 1035.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0763
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes