Information card for entry 2240621

Structure parameters

• Chemical name: 5-Hydroxy-2-nitrobenzaldehyde
• Formula: C7 H5 N O4
• Calculated formula: C7 H5 N O4
• SMILES: O=N(=O)c1ccc(O)cc1C=O
• Title of publication: Cystal structre of 5-hydroxy-2-nitrobenzaldehyde
• Authors of publication: Bano, Huma; Yousuf, Sammer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: o328 - o329
• a: 9.6648 ± 0.0018 Å
• b: 5.0917 ± 0.001 Å
• c: 14.92 ± 0.003 Å
• α: 90°
• β: 106.159 ± 0.004°
• γ: 90°
• Cell volume: 705.2 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0662
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes