Information card for entry 2222720

Structure parameters

• Common name: (2-Methyl-3-nitrophenyl)methanol
• Chemical name: (2-Methyl-3-nitrophenyl)methanol
• Formula: C8 H9 N O3
• Calculated formula: C8 H9 N O3
• SMILES: OCc1cccc(N(=O)=O)c1C
• Title of publication: (2-Methyl-3-nitrophenyl)methanol
• Authors of publication: Zhang, Jian-hong; Chen, You-sheng; Wang, Xi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1925
• a: 13.601 ± 0.003 Å
• b: 7.865 ± 0.0016 Å
• c: 15.433 ± 0.003 Å
• α: 90°
• β: 92.73 ± 0.03°
• γ: 90°
• Cell volume: 1649 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1031
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1653
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes