Information card for entry 2217362

Structure parameters

• Chemical name: 4-[4-(Methylsulfanyl)phenyl]-6-phenyl-2,2'-bipyridine
• Formula: C23 H18 N2 S
• Calculated formula: C23 H18 N2 S
• SMILES: CSc1ccc(cc1)c1cc(nc(c1)c1ccccn1)c1ccccc1
• Title of publication: 4-[4-(Methylsulfanyl)phenyl]-6-phenyl-2,2'-bipyridine
• Authors of publication: Polson, Matthew I. J.; Scandola, Franco; Steel, Peter J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o279 - o279
• a: 19.189 ± 0.003 Å
• b: 5.3617 ± 0.0008 Å
• c: 17.084 ± 0.003 Å
• α: 90°
• β: 92.262 ± 0.009°
• γ: 90°
• Cell volume: 1756.3 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.1419
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes