Information card for entry 2202928

Structure parameters

• Chemical name: 1,4-bis(pyridine-2-aminomethyl)benzene
• Formula: C18 H18 N4
• Calculated formula: C18 H18 N4
• SMILES: c1ccc(nc1)NCc1ccc(cc1)CNc1ccccn1
• Title of publication: 1,4-Bis(pyridine-2-aminomethyl)benzene
• Authors of publication: Ru-Yi Zou; Feng-Bo Xu; Qing-Shan Li; Hai-Bin Song; Hui Lv; Zheng-Zhi Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o1312 - o1313
• a: 18.547 ± 0.011 Å
• b: 5.539 ± 0.003 Å
• c: 15.303 ± 0.009 Å
• α: 90°
• β: 105.328 ± 0.008°
• γ: 90°
• Cell volume: 1516.2 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes