Information card for entry 2206217

Structure parameters

• Chemical name: 2-(4,6-Dimethoxypyrimidin-2-yloxy)-6-fluoro-N-(3-methylpyridyl)benzylamine
• Formula: C19 H19 F N4 O3
• Calculated formula: C19 H19 F N4 O3
• SMILES: COc1cc(OC)nc(n1)Oc1cccc(c1CNc1ncccc1C)F
• Title of publication: 2-(4,6-Dimethoxypyrimidin-2-yloxy)-6-fluoro-<i>N</i>-(3-methylpyridyl)benzylamine
• Authors of publication: De-Long Shen; Qi-Sun Gong; Cheng-Xia Tan; Jian-Quan Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2270 - o2271
• a: 8.849 ± 0.001 Å
• b: 10.581 ± 0.001 Å
• c: 11.3773 ± 0.0008 Å
• α: 113.447 ± 0.001°
• β: 98.852 ± 0.001°
• γ: 106.364 ± 0.002°
• Cell volume: 893.89 ± 0.15 ų
• Cell temperature: 295 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No