Information card for entry 2016477

Structure parameters

• Chemical name: 3,3'-Dinitro-2,2'-dithiodipyridine
• Formula: C10 H6 N4 O4 S2
• Calculated formula: C10 H6 N4 O4 S2
• SMILES: c1(c(cccn1)N(=O)=O)SSc1c(cccn1)N(=O)=O
• Title of publication: 3,3'-Dinitro-2,2'-dithiodipyridine
• Authors of publication: Brito, Iván; Mundaca, Aldo; Cárdenas, Alejandro; López-Rodríguez, Matías
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o117 - o118
• a: 3.832 ± 0.0017 Å
• b: 21.4002 ± 0.0012 Å
• c: 7.8301 ± 0.0014 Å
• α: 90°
• β: 108.339 ± 0.01°
• γ: 90°
• Cell volume: 609.5 ± 0.3 ų
• Cell 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 significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.222
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes