Information card for entry 1558639

Structure parameters

• Chemical name: 3-Methoxy-2-phenoxypyridine
• Formula: C12 H11 N O2
• Calculated formula: C12 H11 N O2
• SMILES: O(c1c(Oc2ccccc2)nccc1)C
• Title of publication: N- and O-Arylation of Pyridin-2-ones with Diaryliodonium Salts: Base-Dependent Orthogonal Selectivity under Metal-Free Conditions
• Authors of publication: Kuriyama, Masami; Hanazawa, Natsumi; Abe, Yusuke; Katagiri, Kotone; Ono, Shimpei; Yamamoto, Kosuke; Onomura, Osamu
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 9.935 ± 0.005 Å
• b: 7.985 ± 0.004 Å
• c: 13.41 ± 0.007 Å
• α: 90°
• β: 110.758 ± 0.009°
• γ: 90°
• Cell volume: 994.8 ± 0.9 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No