Information card for entry 7050751

Structure parameters

• Chemical name: N,N'-Bis(2-pyridyl) -4,4'-methylenebis(aminobenzene)
• Formula: C23 H20 N4
• Calculated formula: C23 H20 N4
• SMILES: n1c(cccc1)Nc1ccc(cc1)Cc1ccc(cc1)Nc1ncccc1
• Title of publication: Supramolecular structures formed by 2-aminopyridine derivatives.
• Authors of publication: Bensemann, Igor; Gdaniec, Maria; Połoński, Tadeusz
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 448
• a: 9.756 ± 0.002 Å
• b: 17.048 ± 0.003 Å
• c: 22.116 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3678.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1621
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No