Information card for entry 7153317

Structure parameters

• Common name: (E)-N-(2-Methoxy-3-oxobut-1-enyl)picolinamide
• Formula: C11 H12 N2 O3
• Calculated formula: C11 H12 N2 O3
• SMILES: O=C(N/C=C(/OC)C(=O)C)c1ncccc1
• Title of publication: A three-component synthesis of beta-alkoxy-beta-keto-enamides‒flexible precursors for 4-hydroxypyridine derivatives and their palladium-catalysed reactions.
• Authors of publication: Lechel, Tilman; Dash, Jyotirmayee; Eidamshaus, Christian; Brüdgam, Irene; Lentz, Dieter; Reissig, Hans-Ulrich
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 13
• Pages of publication: 3007 - 3014
• a: 8.038 ± 0.005 Å
• b: 8.521 ± 0.005 Å
• c: 8.678 ± 0.005 Å
• α: 73.591 ± 0.005°
• β: 81.419 ± 0.005°
• γ: 69.809 ± 0.005°
• Cell volume: 534.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1872
• Weighted residual factors for all reflections included in the refinement: 0.2042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No