Information card for entry 2205675

Structure parameters

• Chemical name: 4-(2-chlorophenyl)-3-methyl-1-phenyl-6-(2-pyridyl)pyrazolo[3,4-b]pyridine
• Formula: C24 H17 Cl N4
• Calculated formula: C24 H17 Cl N4
• SMILES: Clc1c(c2c3c(nc(c2)c2ncccc2)n(nc3C)c2ccccc2)cccc1
• Title of publication: 4-(2-Chlorophenyl)-3-methyl-1-phenyl-6-(2-pyridyl)pyrazolo[3,4-<i>b</i>]pyridine
• Authors of publication: Tu, Shu-Jiang; Zhu, Song-Lei; Zou, Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1398 - o1399
• a: 11.545 ± 0.002 Å
• b: 20.694 ± 0.003 Å
• c: 8.597 ± 0.0015 Å
• α: 90°
• β: 110.147 ± 0.004°
• γ: 90°
• Cell volume: 1928.3 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0898
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes