Information card for entry 2220350

Structure parameters

• Chemical name: 2-Methyl-2-(4-nitrophenoxy)propanoic acid
• Formula: C10 H11 N O5
• Calculated formula: C10 H11 N O5
• SMILES: c1(ccc(cc1)N(=O)=O)OC(C(=O)O)(C)C
• Title of publication: 2-Methyl-2-(4-nitrophenoxy)propanoic acid
• Authors of publication: Navarrete-Vázquez, Gabriel; Torres-Gómez, Hector; Hidalgo-Figueroa, Sergio; Tlahuext, Hugo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2261
• a: 21.296 ± 0.003 Å
• b: 7.0348 ± 0.0009 Å
• c: 14.518 ± 0.002 Å
• α: 90°
• β: 93.794 ± 0.002°
• γ: 90°
• Cell volume: 2170.2 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.163
• 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