Information card for entry 2228535

Structure parameters

• Chemical name: <i>N</i>-Benzylpyridin-2-amine
• Formula: C12 H12 N2
• Calculated formula: C12 H12 N2
• SMILES: c1c(cccc1)CNc1ccccn1
• Title of publication: <i>N</i>-Benzylpyridin-2-amine
• Authors of publication: Wang, Jun; Dai, Chuntao; Nie, Jianhua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3076
• a: 5.9014 ± 0.0016 Å
• b: 8.025 ± 0.002 Å
• c: 10.561 ± 0.003 Å
• α: 95.471 ± 0.004°
• β: 91.244 ± 0.004°
• γ: 94.779 ± 0.003°
• Cell volume: 495.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes