Information card for entry 2219281

Structure parameters

• Chemical name: 4-Amino-3,5-di-2-pyridyl-4H-1,2,4-triazole
• Formula: C12 H10 N6
• Calculated formula: C12 H10 N6
• SMILES: c1(n(N)c(c2ncccc2)nn1)c1ncccc1
• Title of publication: 4-Amino-3,5-di-2-pyridyl-4<i>H</i>-1,2,4-triazole
• Authors of publication: Ramos Silva, Manuela; Silva, Joana A.; Martins, Nuno D.; Matos Beja, Ana; Sobral, Abilio J. F. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1762
• a: 6.6191 ± 0.0002 Å
• b: 14.7136 ± 0.0004 Å
• c: 11.4703 ± 0.0004 Å
• α: 90°
• β: 95.474 ± 0.002°
• γ: 90°
• Cell volume: 1112.01 ± 0.06 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: 0.1165
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes