Information card for entry 1558638

Structure parameters

• Chemical name: 3-Methoxy-1-phenylpyridin-2(1H)-one
• Formula: C12 H11 N O2
• Calculated formula: C12 H11 N O2
• SMILES: O=c1n(cccc1OC)c1ccccc1
• 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: 6.571 ± 0.003 Å
• b: 12.434 ± 0.005 Å
• c: 12.168 ± 0.006 Å
• α: 90°
• β: 93.376 ± 0.007°
• γ: 90°
• Cell volume: 992.4 ± 0.8 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No