Information card for entry 7050749

Structure parameters

• Chemical name: N,N'-Bis(2-pyridyl) -4,4'-oxybis(aminobenzene),polymorph beta from methanol
• Formula: C22 H18 N4 O
• Calculated formula: C22 H18 N4 O
• SMILES: n1c(cccc1)Nc1ccc(cc1)Oc1ccc(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: 11.162 ± 0.001 Å
• b: 18.893 ± 0.001 Å
• c: 17.247 ± 0.001 Å
• α: 90°
• β: 100.89 ± 0.01°
• γ: 90°
• Cell volume: 3571.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0895
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No