Information card for entry 2207339

Structure parameters

• Chemical name: (3-Chlorophenyl)(2-hydroxy-5-methylphenyl)methanone
• Formula: C14 H11 Cl O2
• Calculated formula: C14 H11 Cl O2
• SMILES: Clc1cc(C(=O)c2cc(C)ccc2O)ccc1
• Title of publication: (3-Chlorophenyl)(2-hydroxy-5-methylphenyl)methanone
• Authors of publication: Khanum, S. A.; Mahendra, M.; Shashikanth, S.; Doreswamy, B. H.; Sridhar, M. A.; Shashidhara Prasad, J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3615 - o3617
• a: 10.485 ± 0.0009 Å
• b: 7.823 ± 0.0004 Å
• c: 16.297 ± 0.0013 Å
• α: 90°
• β: 116.949 ± 0.002°
• γ: 90°
• Cell volume: 1191.59 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes