Information card for entry 2220627

Structure parameters

• Chemical name: 4-Amino-3-ammoniopyridinium dichloride
• Formula: C5 H9 Cl2 N3
• Calculated formula: C5 H9 Cl2 N3
• SMILES: [Cl-].[Cl-].[NH3+]c1c[nH+]ccc1N
• Title of publication: 4-Amino-3-ammoniopyridinium dichloride
• Authors of publication: Qin, Jian-Hua; Wang, Jian-Ge
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o131
• a: 8.362 ± 0.002 Å
• b: 7.3218 ± 0.0019 Å
• c: 13.239 ± 0.003 Å
• α: 90°
• β: 92.065 ± 0.004°
• γ: 90°
• Cell volume: 810 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0288
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes