Information card for entry 2215952

Structure parameters

• Chemical name: 1,3-Bis(2-pyridylaminomethyl)benzene
• Formula: C18 H18 N4
• Calculated formula: C18 H18 N4
• SMILES: c1ccc(nc1)NCc1cccc(c1)CNc1ccccn1
• Title of publication: 1,3-Bis(2-pyridylaminomethyl)benzene
• Authors of publication: Li-Na Zhu; Shan Gao; Li-Hua Huo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4399 - o4399
• a: 23.844 ± 0.005 Å
• b: 7.0493 ± 0.0014 Å
• c: 9.2504 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1554.8 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes