Information card for entry 2229651

Structure parameters

• Chemical name: Pyridine-3-carboxamidinium chloride
• Formula: C6 H8 Cl N3
• Calculated formula: C6 H8 Cl N3
• SMILES: [Cl-].NC(=[NH2+])c1cccnc1
• Title of publication: Pyridine-3-carboxamidinium chloride
• Authors of publication: Liu, Fei; Zhang, Fang; Chen, Qifan; Zhang, Huidong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o781
• a: 10.9485 ± 0.0007 Å
• b: 33.1581 ± 0.0014 Å
• c: 4.1488 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1506.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes