Information card for entry 2206531

Structure parameters

• Chemical name: 2,6-Bis(3,4,5-trimethylpyrazol-1-ylmethyl)pyridine
• Formula: C19 H25 N5
• Calculated formula: C19 H25 N5
• SMILES: n1c(cccc1Cn1nc(c(c1C)C)C)Cn1nc(c(c1C)C)C
• Title of publication: 2,6-Bis(3,4,5-trimethylpyrazol-1-ylmethyl)pyridine
• Authors of publication: Giuseppe Agrifoglio; Arquímedes R. Karam; Edgar L. Catarí; Teresa González; Reinaldo Atencio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2613 - o2616
• a: 6.7834 ± 0.0014 Å
• b: 17.953 ± 0.004 Å
• c: 15.247 ± 0.003 Å
• α: 90°
• β: 92.53 ± 0.03°
• γ: 90°
• Cell volume: 1855 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• 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: 0.2352
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.2122
• Weighted residual factors for all reflections included in the refinement: 0.2954
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes