Information card for entry 2224406

Structure parameters

• Chemical name: 2,2'-[Ethane-1,2-diylbis(sulfanediyl)]bis(pyridine N-oxide)
• Formula: C12 H12 N2 O2 S2
• Calculated formula: C12 H12 N2 O2 S2
• SMILES: c1cccc(n1=O)SCCSc1ccccn1=O
• Title of publication: 2,2'-[Ethane-1,2-diylbis(sulfanediyl)]bis(pyridine <i>N</i>-oxide)
• Authors of publication: Wang, Huan-Huan; Zhang, Chao-Yan; Cui, Yue; Xie, Ya-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3268
• a: 8.2776 ± 0.0017 Å
• b: 6.979 ± 0.0014 Å
• c: 10.791 ± 0.002 Å
• α: 90°
• β: 93.52 ± 0.03°
• γ: 90°
• Cell volume: 622.2 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes