Information card for entry 2236584

Structure parameters

• Chemical name: 2-Carboxypyridinium maleate
• Formula: C10 H9 N O6
• Calculated formula: C10 H9 N O6
• SMILES: c1(cccc[nH+]1)C(=O)O.C(=O)(/C=C\C(=O)O)[O-]
• Title of publication: 2-Carboxypyridinium maleate
• Authors of publication: Pandi, P.; Peramaiyan, G.; Akilan, R.; Chakkaravarthi, G.; Mohankumar, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3081
• a: 14.6498 ± 0.0009 Å
• b: 10.3976 ± 0.0008 Å
• c: 6.9067 ± 0.0005 Å
• α: 90°
• β: 100.089 ± 0.003°
• γ: 90°
• Cell volume: 1035.78 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1922
• Weighted residual factors for all reflections included in the refinement: 0.1993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes