Information card for entry 2234708

Structure parameters

• Chemical name: 1,3-Dimethyl-1<i>H</i>-indazol-6-amine
• Formula: C9 H11 N3
• Calculated formula: C9 H11 N3
• SMILES: n1n(c2c(c1C)ccc(N)c2)C
• Title of publication: 1,3-Dimethyl-1<i>H</i>-indazol-6-amine
• Authors of publication: Zhang, Xiao-Kai; Liu, Bing-Ni; Liu, Mo; Liu, Deng-Ke; Wang, Ping-Bao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1291
• a: 18.3004 ± 0.001 Å
• b: 8.3399 ± 0.0007 Å
• c: 5.6563 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 863.28 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes