Information card for entry 2232300

Structure parameters

• Common name: 2,3-diaminopyridinium hydrogen glutarate
• Chemical name: 2,3-Diaminopyridinium 4-carboxybutanoate
• Formula: C10 H15 N3 O4
• Calculated formula: C10 H15 N3 O4
• SMILES: [nH+]1c(N)c(N)ccc1.[O-]C(=O)CCCC(=O)O
• Title of publication: 2,3-Diaminopyridinium 4-carboxybutanoate
• Authors of publication: Hemamalini, Madhukar; Goh, Jia Hao; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3123
• a: 7.7052 ± 0.0001 Å
• b: 21.4626 ± 0.0004 Å
• c: 7.845 ± 0.0001 Å
• α: 90°
• β: 119.473 ± 0.001°
• γ: 90°
• Cell volume: 1129.46 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0703
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes