Information card for entry 2220182

Structure parameters

• Chemical name: 1-Methyl-1<i>H</i>-indazole-3-carboxylic acid
• Formula: C9 H8 N2 O2
• Calculated formula: C9 H8 N2 O2
• SMILES: OC(=O)c1nn(C)c2c1cccc2
• Title of publication: 1-Methyl-1<i>H</i>-indazole-3-carboxylic acid
• Authors of publication: Kang, Si-shun; Wang, Hong-wei; Zhang, Min; Lu, Ran-zhe; Wang, Hai-bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2257
• a: 7.547 ± 0.0015 Å
• b: 14.873 ± 0.003 Å
• c: 14.924 ± 0.003 Å
• α: 90°
• β: 93.1 ± 0.03°
• γ: 90°
• Cell volume: 1672.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0941
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes