Information card for entry 7155336

Structure parameters

• Common name: 9a
• Chemical name: 6-Benzoylmethyl-2-ethanoylamino-pyridine
• Formula: C15 H14 N2 O2
• Calculated formula: C15 H14 N2 O2
• SMILES: O=C(Cc1nc(NC(=O)C)ccc1)c1ccccc1
• Title of publication: Synthesis of 6-substituted 2-phenacylpyridines from 2-(phenylethynyl)pyridine via isoxazolo[2,3-a]pyridinium salt
• Authors of publication: Le, Song Thi; Fujimoto, Toshiki; Asahara, Haruyasu; Nishiwaki, Nagatoshi
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2016
• a: 10.22 ± 0.08 Å
• b: 27.88 ± 0.1 Å
• c: 9.39 ± 0.11 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2676 ± 4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.193
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No