Information card for entry 2217453

Structure parameters

• Chemical name: 2,2'-[2,3,5,6-Tetramethyl-p-phenylenebis(methylenethio)]bis(pyridine N-oxide)
• Formula: C22 H24 N2 O2 S2
• Calculated formula: C22 H24 N2 O2 S2
• SMILES: c1(c(C)c(c(c(c1C)C)CSc1n(cccc1)=O)C)CSc1ccccn1=O
• Title of publication: 2,2'-[2,3,5,6-Tetramethyl-<i>p</i>-phenylenebis(methylenethio)]bis(pyridine <i>N</i>-oxide)
• Authors of publication: Ravindran Durai Nayagam, B.; Samuel Robinson Jebas; Selvarathi Grace; Dieter Schollmeyer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o409 - o409
• a: 11.8431 ± 0.0013 Å
• b: 9.0108 ± 0.0009 Å
• c: 9.7551 ± 0.001 Å
• α: 90°
• β: 112.611 ± 0.009°
• γ: 90°
• Cell volume: 961.01 ± 0.18 ų
• Cell temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes