Information card for entry 2214822

Structure parameters

• Chemical name: 5,5'-Dinitro-2,2'-dithiodipyridine
• Formula: C10 H6 N4 O4 S2
• Calculated formula: C10 H6 N4 O4 S2
• SMILES: c1(ccc(cn1)N(=O)=O)SSc1ccc(cn1)N(=O)=O
• Title of publication: 5,5'-Dinitro-2,2'-dithiodipyridine
• Authors of publication: Brito, Iván; Mundaca, Aldo; Cárdenas, Alejandro; López-Rodríguez, Matías; Vargas, Danitza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3351 - o3352
• a: 5.261 ± 0.0015 Å
• b: 6.044 ± 0.0013 Å
• c: 18.807 ± 0.0019 Å
• α: 90°
• β: 92.839 ± 0.012°
• γ: 90°
• Cell volume: 597.3 ± 0.2 ų
• Cell 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 significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes