Information card for entry 2006080

Structure parameters

• Formula: C12 H12 N2 O2
• Calculated formula: C12 H12 N2 O2
• SMILES: O=n1c(c2cc(ccn2=O)C)cc(cc1)C
• Title of publication: 4,4'-Dimethyl-2,2'-bipyridine 1,1'-Dioxide
• Authors of publication: Kanno, H.; Iijima, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 498 - 499
• a: 11.232 ± 0.004 Å
• b: 9.175 ± 0.003 Å
• c: 10.444 ± 0.004 Å
• α: 90 ± 0°
• β: 107.09 ± 0.03°
• γ: 90 ± 0°
• Cell volume: 1028.8 ± 0.7 ų
• Cell temperature: 298 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 significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.0585
• Goodness-of-fit parameter for significantly intense reflections: 1.59
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No