Information card for entry 2209339

Structure parameters

• Chemical name: (4-Chlorophenyl)(2-hydroxy-5-methylphenyl)methanone
• Formula: C14 H11 Cl O2
• Calculated formula: C14 H11 Cl O2
• SMILES: Clc1ccc(C(=O)c2c(O)ccc(c2)C)cc1
• Title of publication: (4-Chlorophenyl)(2-hydroxy-5-methylphenyl)methanone
• Authors of publication: Naveen, S.; Venu, T. D.; Shashikanth, S.; Sridhar, M. A.; Shashidhara Prasad, J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2233 - o2234
• a: 7.362 ± 0.008 Å
• b: 7.44 ± 0.01 Å
• c: 11.001 ± 0.014 Å
• α: 88.144 ± 0.005°
• β: 85.622 ± 0.009°
• γ: 82.831 ± 0.008°
• Cell volume: 595.9 ± 1.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0532
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes