Information card for entry 2230283

Structure parameters

• Chemical name: 2-Methyl-6-nitro-2<i>H</i>-indazole
• Formula: C8 H7 N3 O2
• Calculated formula: C8 H7 N3 O2
• SMILES: O=N(=O)c1cc2nn(cc2cc1)C
• Title of publication: 2-Methyl-6-nitro-2<i>H</i>-indazole
• Authors of publication: Long, Li; Liu, Bing-Ni; Liu, Mo; Liu, Deng-Ke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1546
• a: 3.793 ± 0.003 Å
• b: 12.2 ± 0.008 Å
• c: 16.675 ± 0.011 Å
• α: 90°
• β: 95.722 ± 0.009°
• γ: 90°
• Cell volume: 767.8 ± 0.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0466
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No