Information card for entry 2225030

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>-Bis(2-pyridylmethyl)aniline
• Formula: C18 H17 N3
• Calculated formula: C18 H17 N3
• SMILES: N(c1ccccc1)(Cc1ncccc1)Cc1ncccc1
• Title of publication: <i>N</i>,<i>N</i>-Bis(2-pyridylmethyl)aniline
• Authors of publication: Kang, Jun-Tao; Wang, Guan-Hua; Xu, Jing-Wei; Yang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o475
• a: 11.4866 ± 0.0019 Å
• b: 16.811 ± 0.003 Å
• c: 7.793 ± 0.0012 Å
• α: 90°
• β: 101.471 ± 0.003°
• γ: 90°
• Cell volume: 1474.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1275
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes