Information card for entry 2017598

Structure parameters

• Common name: 2-aminopyridinium DL-malate
• Chemical name: 2-aminopyridinium DL-3-carboxy-2-hydroxypropanoate
• Formula: C9 H12 N2 O5
• Calculated formula: C9 H12 N2 O5
• SMILES: O=C([O-])C(O)CC(=O)O.[nH+]1c(cccc1)N
• Title of publication: Hydrogen-bonded networks in 5-chloropyridin-2-amine‒fumaric acid (2/1) and 2-aminopyridinium <small>DL</small>-malate
• Authors of publication: Perpétuo, Genivaldo Julio; Janczak, Jan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o225 - o228
• a: 7.619 ± 0.0015 Å
• b: 7.473 ± 0.0015 Å
• c: 19.042 ± 0.004 Å
• α: 90°
• β: 99.85 ± 0.03°
• γ: 90°
• Cell volume: 1068.2 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1238
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes