Information card for entry 2236511

Structure parameters

• Common name: 2,6-Diacetylpyridine‒resorcinol (1/1)
• Chemical name: 1-(6-Acetylpyridin-2-yl)ethanone‒benzene-1,3-diol (1/1)
• Formula: C15 H15 N O4
• Calculated formula: C15 H15 N O4
• SMILES: n1c(cccc1C(=O)C)C(=O)C.Oc1cccc(O)c1
• Title of publication: 2,6-Diacetylpyridine‒resorcinol (1/1)
• Authors of publication: Ton, Quoc-Cuong; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2699
• a: 7.346 ± 0.002 Å
• b: 7.866 ± 0.002 Å
• c: 12.342 ± 0.003 Å
• α: 101.61 ± 0.03°
• β: 90.51 ± 0.03°
• γ: 98.72 ± 0.03°
• Cell volume: 689.9 ± 0.3 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: 0.0858
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes