Information card for entry 7202980

Structure parameters

• Common name: 5,5'-dimethyl-2,2'-bipyridine-1-oxide
• Chemical name: 5,5'-dimethyl-2,2'-bipyridine-1-oxide
• Formula: C12 H10 N4 O5
• Calculated formula: C12 H10 N4 O5
• 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: 8.167 ± 0.0003 Å
• b: 13.4699 ± 0.0006 Å
• c: 11.3597 ± 0.0006 Å
• α: 90°
• β: 94.7505 ± 0.0016°
• γ: 90°
• Cell volume: 1245.37 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No