Information card for entry 2229916

Structure parameters

• Chemical name: 3,3'-dinitro-4,4'-bipyridine
• Formula: C10 H6 N4 O4
• Calculated formula: C10 H6 N4 O4
• SMILES: n1ccc(c(N(=O)=O)c1)c1c(N(=O)=O)cncc1
• Title of publication: 3,3'-Dinitro-4,4'-bipyridine
• Authors of publication: Wang, Yong; Xu, Jing-Yi; Li, De-Yong; Shi, Lu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1191
• a: 9.358 ± 0.0019 Å
• b: 17.815 ± 0.004 Å
• c: 6.387 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1064.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes