Information card for entry 2215740

Structure parameters

• Chemical name: 1,4-Bis(3-pyridylaminomethyl)benzene
• Formula: C18 H18 N4
• Calculated formula: C18 H18 N4
• SMILES: c1ccc(cn1)NCc1ccc(cc1)CNc1cccnc1
• Title of publication: 1,4-Bis(3-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: o4459 - o4459
• a: 5.7064 ± 0.0011 Å
• b: 22.174 ± 0.004 Å
• c: 6.1717 ± 0.0012 Å
• α: 90°
• β: 105.29 ± 0.03°
• γ: 90°
• Cell volume: 753.3 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes