Information card for entry 2218765

Structure parameters

• Chemical name: pyridine-4-carbonitrile‒chloranilic acid (1/1)
• Formula: C12 H6 Cl2 N2 O4
• Calculated formula: C12 H6 Cl2 N2 O4
• Title of publication: Redetermination of pyridine-4-carbonitrile‒chloranilic acid (1/1) at 180 K
• Authors of publication: Gotoh, Kazuma; Nagoshi, Hirokazu; Ishida, Hiroyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1260
• a: 14.9327 ± 0.0008 Å
• b: 4.9301 ± 0.0003 Å
• c: 17.0355 ± 0.001 Å
• α: 90°
• β: 93.0474 ± 0.0018°
• γ: 90°
• Cell volume: 1252.37 ± 0.13 ų
• Cell temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes