Information card for entry 2236023

Structure parameters

• Chemical name: 2-{[(Pyridin-2-yl)amino]methyl}phenol
• Formula: C12 H12 N2 O
• Calculated formula: C12 H12 N2 O
• SMILES: Oc1c(CNc2ncccc2)cccc1
• Title of publication: 2-{[(Pyridin-2-yl)amino]methyl}phenol
• Authors of publication: Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2473
• a: 6.3331 ± 0.0004 Å
• b: 10.6761 ± 0.0009 Å
• c: 15.3714 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1039.3 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes