Information card for entry 2204101

Structure parameters

• Common name: Methyl 2-[hydroxy(4-nitrophenyl)methyl]acrylate
• Chemical name: Methyl 2-[hydroxy(4-nitrophenyl)methyl]acrylate
• Formula: C11 H11 N O5
• Calculated formula: C11 H11 N O5
• SMILES: O=C(OC)C(=C)C(O)c1ccc(N(=O)=O)cc1
• Title of publication: Methyl 2-[hydroxy(4-nitrophenyl)methyl]acrylate
• Authors of publication: Yin, Caixia; Huo, Fangjun; Yang, Pin
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o1331 - o1332
• a: 6.817 ± 0.003 Å
• b: 8.598 ± 0.004 Å
• c: 10.457 ± 0.005 Å
• α: 97.748 ± 0.006°
• β: 99.66 ± 0.006°
• γ: 110.765 ± 0.005°
• Cell volume: 552.3 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No