Information card for entry 2237824

Structure parameters

• Chemical name: 1-(3-Chlorophenyl)-5-(2,4-dihydroxybenzoyl)pyridin-2(1<i>H</i>)-one
• Formula: C18 H12 Cl N O4
• Calculated formula: C18 H12 Cl N O4
• SMILES: Oc1ccc(c(c1)O)C(=O)c1ccc(=O)n(c1)c1cccc(c1)Cl
• Title of publication: 1-(3-Chlorophenyl)-5-(2,4-dihydroxybenzoyl)pyridin-2(1<i>H</i>)-one
• Authors of publication: Ren, Fang; Li, Guifeng; Zhang, Quanying; Yao, Jinhua; Zhang, Xuli
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o732
• a: 6.689 ± 0.003 Å
• b: 9.009 ± 0.004 Å
• c: 13.257 ± 0.006 Å
• α: 87.193 ± 0.005°
• β: 87.719 ± 0.005°
• γ: 82.674 ± 0.005°
• Cell volume: 791 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.2153
• Weighted residual factors for all reflections included in the refinement: 0.2334
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes