Information card for entry 7050742

Structure parameters

• Chemical name: N,N'-Bis(2-pyridyl)-1,3-diaminobenzene
• Formula: C16 H14 N4
• Calculated formula: C16 H14 N4
• SMILES: c1(ccccn1)Nc1cc(Nc2ccccn2)ccc1
• 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: 19.917 ± 0.004 Å
• b: 7.627 ± 0.002 Å
• c: 8.677 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1318.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No