Information card for entry 2227365

Structure parameters

• Chemical name: <i>N</i>-(2-Chloropyrimidin-4-yl)-<i>N</i>,2-dimethyl-2<i>H</i>-indazol-6-amine
• Formula: C13 H12 Cl N5
• Calculated formula: C13 H12 Cl N5
• SMILES: Clc1nccc(n1)N(C)c1ccc2c(nn(c2)C)c1
• Title of publication: <i>N</i>-(2-Chloropyrimidin-4-yl)-<i>N</i>,2-dimethyl-2<i>H</i>-indazol-6-amine
• Authors of publication: Qi, Hao-Fei; Liu, Bing-Ni; Liu, Mo; Liu, Deng-Ke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2955
• a: 21.432 ± 0.004 Å
• b: 9.836 ± 0.002 Å
• c: 12.542 ± 0.003 Å
• α: 90°
• β: 90.25 ± 0.03°
• γ: 90°
• Cell volume: 2643.9 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes