Information card for entry 7053015

Structure parameters

• Common name: (1H-indol-3-yl)(pyridin-2-yl)methanol
• Chemical name: (1H-indol-3-yl)(pyridin-2-yl)methanol
• Formula: C14 H12 N2 O
• Calculated formula: C14 H12 N2 O
• SMILES: OC(c1c[nH]c2ccccc12)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: 10.6147 ± 0.0005 Å
• b: 11.5927 ± 0.0005 Å
• c: 9.2553 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1138.89 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No