Information card for entry 2210062

Structure parameters

• Chemical name: 2,6-diaminopyridinium hydrogen fumarate
• Formula: C9 H11 N3 O4
• Calculated formula: C9 H11 N3 O4
• SMILES: c1(cccc([nH+]1)N)N.C(=O)(/C=C/C(=O)[O-])O
• Title of publication: 2,6-Diaminopyridinium hydrogen fumarate
• Authors of publication: Büyükgüngör, Orhan; Odabas̨oǧlu, Mustafa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3816 - o3818
• a: 3.7834 ± 0.0003 Å
• b: 13.3967 ± 0.0013 Å
• c: 10.0703 ± 0.0008 Å
• α: 90°
• β: 97.635 ± 0.006°
• γ: 90°
• Cell volume: 505.89 ± 0.08 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0332
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes