Information card for entry 7202981

Structure parameters

• Common name: 5,5-Dimethyl-3,3-dinitro-2,2-bipyridine-1,1-dioxide
• Chemical name: 5,5-Dimethyl-3,3-dinitro-2,2-bipyridine-1,1-dioxide
• Formula: C12 H10 N4 O6
• Calculated formula: C12 H10 N4 O6
• SMILES: O=n1c(c2c(cc(cn2=O)C)N(=O)=O)c(cc(c1)C)N(=O)=O
• Title of publication: A competition between O⋯N and O⋯C through space interactions in the crystal structures of 3,3′-dinitro-2,2′-bipyridine N-oxides and N,N′-dioxides
• Authors of publication: O'Leary, Jane; Wallis, John D.
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 941
• a: 12.044 ± 0.004 Å
• b: 7.544 ± 0.003 Å
• c: 15.093 ± 0.005 Å
• α: 90°
• β: 108.48 ± 0.003°
• γ: 90°
• Cell volume: 1300.6 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No