Information card for entry 2239841

Structure parameters

• Chemical name: Phenyl(pyridin-2-yl)methanol
• Formula: C12 H11 N O
• Calculated formula: C12 H11 N O
• SMILES: n1ccccc1C(O)c1ccccc1
• Title of publication: Crystal structure of phenyl(pyridin-2-yl)methanol
• Authors of publication: Kim, Haneol; Kang, Sung Kwon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: o947
• a: 7.4385 ± 0.0008 Å
• b: 14.3429 ± 0.0016 Å
• c: 9.2255 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 984.27 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.808
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes