Information card for entry 2207416

Structure parameters

• Chemical name: 3-Chloro-4-hydroxy-4'-methylbenzophenone
• Formula: C14 H11 Cl O2
• Calculated formula: C14 H11 Cl O2
• SMILES: c1c(c(ccc1C(=O)c1ccc(cc1)C)O)Cl
• Title of publication: 3-Chloro-4-hydroxy-4'-methylbenzophenone
• Authors of publication: Harrison, William T. A.; Anilkumar, H. G.; Yathirajan, H. S.; Sadashivamurthy, B.; Basaravaju, Y. B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4146 - o4148
• a: 7.1062 ± 0.0003 Å
• b: 8.5441 ± 0.0005 Å
• c: 9.8766 ± 0.0006 Å
• α: 86.124 ± 0.003°
• β: 83.804 ± 0.003°
• γ: 77.29 ± 0.003°
• Cell volume: 580.96 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.066
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes