Information card for entry 2224995

Structure parameters

• Common name: 5,6-Diphenyl-3-(3-pyridyl)-1,2,4-triazine
• Chemical name: 5,6-Diphenyl-3-(3-pyridyl)-1,2,4-triazine
• Formula: C20 H14 N4
• Calculated formula: C20 H14 N4
• SMILES: n1c(c2ccccc2)c(nnc1c1cnccc1)c1ccccc1
• Title of publication: 5,6-Diphenyl-3-(3-pyridyl)-1,2,4-triazine
• Authors of publication: Jian, Fang-Fang; Ren, Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o427
• a: 14.4775 ± 0.0016 Å
• b: 7.0923 ± 0.0008 Å
• c: 18.5786 ± 0.0015 Å
• α: 90°
• β: 125.587 ± 0.006°
• γ: 90°
• Cell volume: 1551.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0927
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes