Information card for entry 7050750

Structure parameters

• Chemical name: N,N'-Bis(2-pyridyl) -4,4'-thiobis(aminobenzene)
• Formula: C22 H18 N4 S
• Calculated formula: C22 H18 N4 S
• SMILES: c1(ccccn1)Nc1ccc(cc1)Sc1ccc(Nc2ccccn2)cc1
• 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: 34.619 ± 0.007 Å
• b: 18.823 ± 0.004 Å
• c: 5.61 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3655.7 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No