Information card for entry 1549019

Structure parameters

• Chemical name: 2,2'-(Disulfanediyl)bis(pyridine <i>N</i>-oxide)‒hydrogen peroxide (1/1)
• Formula: C10 H10 N2 O4 S2
• Calculated formula: C10 H10 N2 O4 S2
• SMILES: S(Sc1n(=O)cccc1)c1n(=O)cccc1.OO
• Title of publication: 2,2′-Disulfanediylbis(pyridine N-oxide)‒hydrogen peroxide (1/1)
• Authors of publication: Lynch, Will; Padgett, Clifford W.
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 3
• a: 11.232 ± 0.002 Å
• b: 12.283 ± 0.003 Å
• c: 4.401 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 607.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes