Information card for entry 7053014

Structure parameters

• Common name: (4-Methoxyphenyl)(pyridine-2-yl)methanol
• Chemical name: (4-Methoxyphenyl)(pyridine-2-yl)methanol
• Formula: C13 H13 N O2
• Calculated formula: C13 H13 N O2
• SMILES: OC(c1ccc(OC)cc1)c1ncccc1
• Title of publication: Friedel‒Crafts hydroxyalkylation through activation of a carbonyl group using AlBr3: an easy access to pyridyl aryl/heteroaryl carbinols
• Authors of publication: Harikrishnan, Adhikesavan; Selvakumar, Jayaraman; Gnanamani, Elumalai; Bhattacharya, Suman; Ramanathan, Chinnasamy Ramaraj
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 3
• Pages of publication: 563
• a: 8.489 ± 0.0003 Å
• b: 17.2434 ± 0.0006 Å
• c: 8.1339 ± 0.0003 Å
• α: 90°
• β: 110.61 ± 0.004°
• γ: 90°
• Cell volume: 1114.43 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No