Information card for entry 2017882

Structure parameters

• Chemical name: 2,6-bis(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)pyridine
• Formula: C23 H19 N7
• Calculated formula: C23 H19 N7
• SMILES: c1ccc(cc1)Cn1cc(c2cccc(c3cn(Cc4ccccc4)nn3)n2)nn1
• Title of publication: 2,6-Bis(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)pyridine and its octahedral copper complex
• Authors of publication: Danielraj, Paulraj; Varghese, Babu; Sankararaman, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m366 - m370
• a: 5.88 ± 0.0012 Å
• b: 11.46 ± 0.002 Å
• c: 16.14 ± 0.003 Å
• α: 103.53 ± 0.03°
• β: 99.31 ± 0.03°
• γ: 104.61 ± 0.03°
• Cell volume: 994.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1214
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes