Information card for entry 2009804

Structure parameters

• Formula: C17 H18 N4
• Calculated formula: C17 H18 N4
• SMILES: CCc1nnc(n1c1cc(C)cc(n1)C)c1ccccc1
• Title of publication: 4-(4,6-Diméthylpyrid-2-yl)-5-éthyl-3-phényl-4<i>H</i>-1,2,4-triazole
• Authors of publication: Rodier, N.; Robert-Piessard, S.; Robert, J.-M.; Baut, G. Le.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 955 - 957
• a: 18.883 ± 0.005 Å
• b: 6.1671 ± 0.0008 Å
• c: 13.087 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1524 ± 0.5 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for significantly intense reflections: 1.87
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No