Information card for entry 2222456

Structure parameters

• Chemical name: 3,4-Diaminopyridinium hydrogen succinate
• Formula: C9 H13 N3 O4
• Calculated formula: C9 H13 N3 O4
• SMILES: O=C(O)CCC(=O)[O-].[nH+]1ccc(N)c(N)c1
• Title of publication: 3,4-Diaminopyridinium hydrogen succinate
• Authors of publication: Fun, Hoong-Kun; Balasubramani, Kasthuri
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1531 - o1532
• a: 4.9862 ± 0.0002 Å
• b: 9.5028 ± 0.0003 Å
• c: 10.4775 ± 0.0003 Å
• α: 90°
• β: 93.653 ± 0.002°
• γ: 90°
• Cell volume: 495.45 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0392
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes