Information card for entry 2225404

Structure parameters

• Chemical name: 2-Amino-3-ammoniopyridinium dichloride
• Formula: C5 H9 Cl2 N3
• Calculated formula: C5 H9 Cl2 N3
• SMILES: [Cl-].[Cl-].[NH3+]c1ccc[nH+]c1N
• Title of publication: 2-Amino-3-ammoniopyridinium dichloride
• Authors of publication: Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o513 - o514
• a: 10.977 ± 0.0002 Å
• b: 12.5175 ± 0.0002 Å
• c: 11.652 ± 0.0002 Å
• α: 90°
• β: 98.979 ± 0.001°
• γ: 90°
• Cell volume: 1581.42 ± 0.05 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: 0.0736
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes