Information card for entry 2219224

Structure parameters

• Chemical name: 3-Benzyloxypyridin-2-amine
• Formula: C12 H12 N2 O
• Calculated formula: C12 H12 N2 O
• SMILES: c1ccnc(c1OCc1ccccc1)N
• Title of publication: 3-Benzyloxypyridin-2-amine
• Authors of publication: Lin, De-Jun; Sun, Yu; Li, Zhong-Shu; Sun, Bai-Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1846
• a: 12.852 ± 0.003 Å
• b: 7.4068 ± 0.0015 Å
• c: 22.561 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2147.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1261
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes