Information card for entry 2224186

Structure parameters

• Chemical name: 2-Hydroxy-5-nitrobenzaldehyde
• Formula: C7 H5 N O4
• Calculated formula: C7 H5 N O4
• SMILES: O=N(=O)c1ccc(O)c(c1)C=O
• Title of publication: 2-Hydroxy-5-nitrobenzaldehyde
• Authors of publication: Tanak, Hasan; Macit, Mustafa; Yavuz, Metin; Işık, Şamil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3056 - o3057
• a: 7.258 ± 0.0017 Å
• b: 8.396 ± 0.0013 Å
• c: 11.704 ± 0.003 Å
• α: 90°
• β: 95.165 ± 0.018°
• γ: 90°
• Cell volume: 710.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0832
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes