Information card for entry 2243137

Structure parameters

• Common name: 2-Aminopyridinium hydrogen phthalate
• Chemical name: 2-Aminopyridinium hydrogen phthalate
• Formula: C13 H12 N2 O4
• Calculated formula: C13 H12 N2 O4
• SMILES: c1(cccc[nH+]1)N.c1(ccccc1C(=O)O)C(=O)[O-]
• Title of publication: Crystal structure and Hirshfeld surface analysis of 2-aminopyridinium hydrogen phthalate
• Authors of publication: Siva, V.; Suresh, M.; Athimoolam, S.; Asath Bahadur, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 11
• Pages of publication: 1627 - 1631
• a: 5.1593 ± 0.0006 Å
• b: 8.6124 ± 0.0009 Å
• c: 13.5745 ± 0.0019 Å
• α: 90°
• β: 97.087 ± 0.004°
• γ: 90°
• Cell volume: 598.56 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1764
• Weighted residual factors for all reflections included in the refinement: 0.1856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.24
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes