Information card for entry 2237385

Structure parameters

• Chemical name: 4-Methylpyridinium 4-hydroxybenzoate
• Formula: C13 H13 N O3
• Calculated formula: C13 H13 N O3
• SMILES: Oc1ccc(cc1)C(=O)[O-].[nH+]1ccc(cc1)C
• Title of publication: 4-Methylpyridinium 4-hydroxybenzoate
• Authors of publication: Sudhahar, S.; Krishnakumar, M.; Sornamurthy, B. M.; Chakkaravarthi, G.; Mohankumar, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o279
• a: 7.479 ± 0.005 Å
• b: 11.671 ± 0.004 Å
• c: 13.52 ± 0.005 Å
• α: 90°
• β: 100.217 ± 0.005°
• γ: 90°
• Cell volume: 1161.4 ± 1 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: 0.0609
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes