Information card for entry 2238428

Structure parameters

• Chemical name: 2-[(2-Chlorophenyl)(hydroxy)methyl]phenol
• Formula: C13 H11 Cl O2
• Calculated formula: C13 H11 Cl O2
• SMILES: Clc1c(C(O)c2c(O)cccc2)cccc1
• Title of publication: 2-[(2-Chlorophenyl)(hydroxy)methyl]phenol
• Authors of publication: Prakasha, G.; Jasinski, Jerry P.; Brown, Jared S.; Yathirajan, H. S.; Ravishankara, D. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1240
• a: 23.4627 ± 0.0008 Å
• b: 23.4627 ± 0.0008 Å
• c: 11.3722 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5421.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.2032
• Weighted residual factors for all reflections included in the refinement: 0.2129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes