Information card for entry 2311444

Structure parameters

• Common name: bis(4-hyroxypyridinium) chloranilate
• Chemical name: Bis(4-hyroxypyridinium) 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolate
• Formula: C16 H12 Cl2 N2 O6
• Calculated formula: C16 H12 Cl2 N2 O6
• Title of publication: Crystal structures of three hydrogen-bonded 1:2 compounds of chloranilic acid with 2-pyridone, 3-hy-droxy-pyridine and 4-hyroxypyridine.
• Authors of publication: Gotoh, Kazuma; Ishida, Hiroyuki
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 10
• Pages of publication: 1546 - 1550
• a: 5.49136 ± 0.00013 Å
• b: 8.2195 ± 0.0004 Å
• c: 18.1382 ± 0.0009 Å
• α: 102.177 ± 0.003°
• β: 93.952 ± 0.003°
• γ: 95.316 ± 0.004°
• Cell volume: 793.53 ± 0.06 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No