Information card for entry 2219158

Structure parameters

• Chemical name: 2-Amino-5-cyanopyridinium chloride
• Formula: C6 H6 Cl N3
• Calculated formula: C6 H6 Cl N3
• SMILES: [Cl-].[nH+]1cc(C#N)ccc1N
• Title of publication: 2-Amino-5-cyanopyridinium chloride
• Authors of publication: Wen, Xiao-Chun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1461
• a: 4.0937 ± 0.0008 Å
• b: 11.856 ± 0.002 Å
• c: 14.842 ± 0.003 Å
• α: 90°
• β: 94.95 ± 0.03°
• γ: 90°
• Cell volume: 717.7 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0663
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes