Information card for entry 2015274

Structure parameters

• Chemical name: 2,2'-bipyridinium picrate
• Formula: C16 H11 N5 O7
• Calculated formula: C16 H11 N5 O7
• SMILES: [nH+]1c(cccc1)c1ncccc1.c1([O-])c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O
• Title of publication: Simple hydrogen-bonded chains in 2,2'-bipyridinium thiocyanate, hydrogen-bonded chains of rings in 2,2'-bipyridinium picrate and hydrogen-bonded sheets in 2,2'-bipyridinium hydrogensulfate
• Authors of publication: Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Ferguson, George; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o165 - o169
• a: 7.4139 ± 0.0005 Å
• b: 9.3768 ± 0.0006 Å
• c: 12.3694 ± 0.0005 Å
• α: 71.681 ± 0.003°
• β: 75.722 ± 0.003°
• γ: 77.391 ± 0.003°
• Cell volume: 781.79 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1044
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes