Information card for entry 2006698

Structure parameters

• Chemical name: 4,4'-dinitro-2,2'-bipyridine
• Formula: C10 H6 N4 O4
• Calculated formula: C10 H6 N4 O4
• SMILES: n1c(c2cc(ccn2)N(=O)=O)cc(cc1)N(=O)=O
• Title of publication: 4,4'-Dinitro-2,2'-bipyridine
• Authors of publication: Pilkington, Melanie; Capelli, Silvia; Hauser, Jürg; Hoffmann, Christina; Bürgi, Hans-Beat
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 1719 - 1721
• a: 5.8295 ± 0.0007 Å
• b: 5.5407 ± 0.0007 Å
• c: 16.345 ± 0.002 Å
• α: 90°
• β: 94.607 ± 0.002°
• γ: 90°
• Cell volume: 526.23 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for all reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.0852
• Goodness-of-fit parameter for all reflections: 2.688
• Goodness-of-fit parameter for significantly intense reflections: 2.841
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No