Information card for entry 2237176

Structure parameters

• Chemical name: 2,3-Diaminopyridinium hydrogen malonate
• Formula: C8 H11 N3 O4
• Calculated formula: C8 H11 N3 O4
• SMILES: O=C([O-])CC(=O)O.[nH+]1c(N)c(N)ccc1
• Title of publication: 2,3-Diaminopyridinium hydrogen malonate
• Authors of publication: Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o92 - o93
• a: 5.0843 ± 0.0001 Å
• b: 8.0771 ± 0.0001 Å
• c: 11.1928 ± 0.0002 Å
• α: 90°
• β: 91.214 ± 0.001°
• γ: 90°
• Cell volume: 459.545 ± 0.013 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0389
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes