Information card for entry 2243186

Structure parameters

• Chemical name: 4-Chloro-2-nitrobenzoic acid‒quinolin-4(1<i>H</i>)-one (1/1)‒4-hydroxyquinolinium 4-chloro-2-nitrobenzoate
• Formula: C16 H11 Cl N2 O5
• Calculated formula: C16 H11 Cl N2 O5
• Title of publication: Crystal structure of 4-chloro-2-nitrobenzoic acid with 4-hydroxyquinoline: a disordered structure over two states of 4-chloro-2-nitrobenzoic acid‒quinolin-4(1<i>H</i>)-one (1/1) and 4-hydroxyquinolinium 4-chloro-2-nitrobenzoate
• Authors of publication: Gotoh, Kazuma; Ishida, Hiroyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 12
• Pages of publication: 1853 - 1856
• a: 12.6336 ± 0.0008 Å
• b: 7.0701 ± 0.0003 Å
• c: 33.5956 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3000.8 ± 0.3 ų
• Cell temperature: 190 ± 1 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes