Information card for entry 2222727

Structure parameters

• Chemical name: 2,3-Dimethyl-6-nitro-2<i>H</i>-indazole
• Formula: C9 H9 N3 O2
• Calculated formula: C9 H9 N3 O2
• SMILES: O=N(=O)c1cc2nn(C)c(C)c2cc1
• Title of publication: 2,3-Dimethyl-6-nitro-2<i>H</i>-indazole
• Authors of publication: Chen, Yan; Fang, Zheng; Wei, Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1775
• a: 6.58 ± 0.0013 Å
• b: 7.205 ± 0.0014 Å
• c: 10.752 ± 0.002 Å
• α: 75.07 ± 0.03°
• β: 74.67 ± 0.03°
• γ: 66.73 ± 0.03°
• Cell volume: 444.81 ± 0.19 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1538
• 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