Information card for entry 2216943

Structure parameters

• Chemical name: 5,5'-dinitro-2,2'-dithiodipyridine
• Formula: C10 H6 N4 O4 S2
• Calculated formula: C10 H6 N4 O4 S2
• SMILES: S(Sc1ncc(N(=O)=O)cc1)c1ncc(N(=O)=O)cc1
• Title of publication: A triclinic modification of 5,5'-dinitro-2,2'-dithiodipyridine
• Authors of publication: Brito, Iván; Mundaca, Aldo; Cárdenas, Alejandro; López-Rodríguez, Matías
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o102 - o103
• a: 7.7832 ± 0.0012 Å
• b: 11.8515 ± 0.0011 Å
• c: 14.513 ± 0.002 Å
• α: 82.353 ± 0.004°
• β: 82.095 ± 0.005°
• γ: 72.46 ± 0.009°
• Cell volume: 1258.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.2092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes