Information card for entry 2208040

Structure parameters

• Chemical name: 1-(4,6-Dimethoxy-1,3,5-triazin-2-yloxy)-1H-pyridino[2,3-d]triazole
• Formula: C10 H9 N7 O3
• Calculated formula: C10 H9 N7 O3
• SMILES: O(n1nnc2cccnc12)c1nc(OC)nc(OC)n1
• Title of publication: 1-(4,6-Dimethoxy-1,3,5-triazin-2-yloxy)-1<i>H</i>-pyridino[2,3-<i>d</i>]triazole
• Authors of publication: Da-Tong Zhang; Fang-Qang Sun; Gui-Yun Duan; Jian-Wu Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o857 - o858
• a: 8.7412 ± 0.0019 Å
• b: 10.53 ± 0.002 Å
• c: 13.881 ± 0.003 Å
• α: 81.964 ± 0.003°
• β: 89.058 ± 0.003°
• γ: 76.467 ± 0.003°
• Cell volume: 1229.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes