Information card for entry 1543459

Structure parameters

• Chemical name: 2-Methylpyridinium 2-carboxybenzoate‒benzene-1,2-dicarboxylic acid (2/1)
• Formula: C18 H16 N O6
• Calculated formula: C18 H16 N O6
• Title of publication: 2-Methylpyridinium 2-carboxybenzoate‒benzene-1,2-dicarboxylic acid (2/1)
• Authors of publication: Sivakumar, P.; Sudhahar, S.; Gunasekaran, B.; Israel, S.; Chakkaravarthi, G.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 5
• Pages of publication: x160817
• a: 13.0967 ± 0.0008 Å
• b: 8.1049 ± 0.0004 Å
• c: 30.3013 ± 0.0018 Å
• α: 90°
• β: 97.543 ± 0.003°
• γ: 90°
• Cell volume: 3188.6 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1097
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes