Information card for entry 2220336

Structure parameters

• Chemical name: <i>N</i>-(2-Pyridyl)-4-toluidine
• Formula: C12 H12 N2
• Calculated formula: C12 H12 N2
• SMILES: N(c1ccc(cc1)C)c1ncccc1
• Title of publication: <i>N</i>-(2-Pyridyl)-4-toluidine
• Authors of publication: Fairuz, Zainal Abidin; Aiyub, Zaharah; Abdullah, Zanariah; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2441
• a: 18.226 ± 0.0007 Å
• b: 10.568 ± 0.0003 Å
• c: 10.6005 ± 0.0003 Å
• α: 90°
• β: 95.364 ± 0.002°
• γ: 90°
• Cell volume: 2032.85 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.1265
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1702
• Weighted residual factors for all reflections included in the refinement: 0.2061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes