Information card for entry 2208029

Structure parameters

• Chemical name: N-(4,6-Dimethoxy-1,3,5-triazin-2-yloxy)benzotriazole
• Formula: C11 H10 N6 O3
• Calculated formula: C11 H10 N6 O3
• SMILES: O(C)c1nc(On2nnc3ccccc23)nc(OC)n1
• Title of publication: 1-(4,6-Dimethoxy-1,3,5-triazin-2-yloxy)-1<i>H</i>-benzotriazole
• Authors of publication: Da-Tong Zhang; Fang-Gang Sun; Ya-Wei 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: o494 - o495
• a: 21.602 ± 0.003 Å
• b: 7.3765 ± 0.0012 Å
• c: 18.248 ± 0.003 Å
• α: 90°
• β: 122.139 ± 0.002°
• γ: 90°
• Cell volume: 2462.2 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes