Information card for entry 2230275

Structure parameters

• Chemical name: <i>N</i>-(2-Chloropyrimidin-4-yl)-2-methyl-2<i>H</i>-indazol-6-amine methanol monosolvate
• Formula: C13 H14 Cl N5 O
• Calculated formula: C13 H14 Cl N5 O
• SMILES: Clc1nccc(n1)Nc1ccc2c(nn(c2)C)c1.CO
• Title of publication: <i>N</i>-(2-Chloropyrimidin-4-yl)-2-methyl-2<i>H</i>-indazol-6-amine methanol monosolvate
• Authors of publication: Pang, Xiang-Chuan; Deng, Xin-Hua; Sun, Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1431
• a: 6.9327 ± 0.0008 Å
• b: 17.613 ± 0.002 Å
• c: 11.4883 ± 0.0016 Å
• α: 90°
• β: 106.69 ± 0.008°
• γ: 90°
• Cell volume: 1343.7 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• 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: 0.0414
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes