Information card for entry 2223615

Structure parameters

• Chemical name: 1,2-Bis(2-nitrophenyl)disulfane
• Formula: C12 H8 N2 O4 S2
• Calculated formula: C12 H8 N2 O4 S2
• SMILES: S(Sc1c(N(=O)=O)cccc1)c1c(N(=O)=O)cccc1
• Title of publication: 1,2-Bis(2-nitrophenyl)disulfane
• Authors of publication: Song, Mingzhi; Fan, Chuangang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2835
• a: 8.3762 ± 0.0009 Å
• b: 21.028 ± 0.002 Å
• c: 8.1011 ± 0.001 Å
• α: 90°
• β: 111.768 ± 0.001°
• γ: 90°
• Cell volume: 1325.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0762
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes