Information card for entry 2208950

Structure parameters

• Chemical name: 2-Nitrophenylacetic acid
• Formula: C8 H7 N O4
• Calculated formula: C8 H7 N O4
• SMILES: c1(CC(=O)O)c(N(=O)=O)cccc1
• Title of publication: 2-Nitrophenylacetic acid: hydrogen-bonded sheets of <i>R</i>~2~^2^(8) and <i>R</i>~4~^4^(18) rings
• Authors of publication: Wardell, James L.; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1915 - o1917
• a: 9.3182 ± 0.0003 Å
• b: 9.4466 ± 0.0002 Å
• c: 9.9733 ± 0.0003 Å
• α: 90°
• β: 114.799 ± 0.0017°
• γ: 90°
• Cell volume: 796.95 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.04
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes