Information card for entry 2220533

Structure parameters

• Chemical name: 3-Hydroxy-4-nitrophenyl acetate
• Formula: C8 H7 N O5
• Calculated formula: C8 H7 N O5
• SMILES: O=C(Oc1ccc(N(=O)=O)c(O)c1)C
• Title of publication: 3-Hydroxy-4-nitrophenyl acetate
• Authors of publication: Liu, Chao; Cheng, Chunqing; Ji, Xiujie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o46
• a: 10.881 ± 0.002 Å
• b: 5.0543 ± 0.001 Å
• c: 15.318 ± 0.003 Å
• α: 90°
• β: 93.75 ± 0.03°
• γ: 90°
• Cell volume: 840.6 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0323
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes