Information card for entry 7050745

Structure parameters

• Chemical name: N,N'-Bis(2-pyridyl)-1,4-diaminobenzene, polymorph beta
• Formula: C16 H14 N4
• Calculated formula: C16 H14 N4
• SMILES: c1c(ccc(c1)Nc1ccccn1)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: 7.454 ± 0.001 Å
• b: 8.991 ± 0.002 Å
• c: 19.477 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1305.3 ± 0.4 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: 0.1205
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No