Information card for entry 4022998

Structure parameters

• Formula: C19 H16 N2 O
• Calculated formula: C19 H16 N2 O
• SMILES: O=C(N(c1ccccc1)c1ccccc1)Cc1ncccc1
• Title of publication: Oxidation Reactivity Channels for 2-(Pyridin-2-yl)-N,N-diphenylacetamides
• Authors of publication: Sylvie Pailloux; Iris Binyamin; Lorraine M. Deck; Brian M. Rapko; Benjamin P. Hay; Eileen N. Duesler; Robert T. Paine
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 9195 - 9202
• a: 10.1537 ± 0.001 Å
• b: 11.5135 ± 0.0013 Å
• c: 12.8787 ± 0.0012 Å
• α: 90°
• β: 98.021 ± 0.009°
• γ: 90°
• Cell volume: 1490.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0655
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No