Information card for entry 2222200

Structure parameters

• Chemical name: 2,2'-[<i>o</i>-Phenylenebis(methylenethio)]bis(pyridine <i>N</i>-oxide)
• Formula: C18 H16 N2 O2 S2
• Calculated formula: C18 H16 N2 O2 S2
• SMILES: S(Cc1c(cccc1)CSc1n(=O)cccc1)c1n(=O)cccc1
• Title of publication: 2,2'-[<i>o</i>-Phenylenebis(methylenethio)]bis(pyridine <i>N</i>-oxide)
• Authors of publication: Zhang, Chao-Yan; Gao, Qian; Cui, Yue; Xie, Ya-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1482
• a: 7.5075 ± 0.0015 Å
• b: 17.81 ± 0.004 Å
• c: 12.48 ± 0.003 Å
• α: 90°
• β: 105.2 ± 0.03°
• γ: 90°
• Cell volume: 1610.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes