Information card for entry 2227129

Structure parameters

• Chemical name: 3,4,6-Trimethyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine
• Formula: C15 H15 N3
• Calculated formula: C15 H15 N3
• SMILES: c1(cc(c2c(n1)n(c1ccccc1)nc2C)C)C
• Title of publication: 3,4,6-Trimethyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine
• Authors of publication: Hamri, Salha; Hafid, Abderrafia; Zouihri, Hafid; Lazar, Saïd; Khouili, Mostafa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1966
• a: 7.1714 ± 0.0002 Å
• b: 12.069 ± 0.0004 Å
• c: 14.5491 ± 0.0005 Å
• α: 90°
• β: 101.251 ± 0.001°
• γ: 90°
• Cell volume: 1235.05 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Cell measurement pressure: 101 kPa
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.188
• Weighted residual factors for all reflections included in the refinement: 0.1982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes