Information card for entry 2228630

Structure parameters

• Chemical name: Pyridine-2-carboximidamidate chloride monohydrate
• Formula: C6 H10 Cl N3 O
• Calculated formula: C6 H10 Cl N3 O
• SMILES: [Cl-].O.n1ccccc1C(=[NH2+])N
• Title of publication: Pyridine-2-carboximidamidate chloride monohydrate
• Authors of publication: Chen, Qifan; Zhang, Huidong; Zhang, Fang; Liu, Fei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3169
• a: 7.257 ± 0.0015 Å
• b: 11.146 ± 0.002 Å
• c: 16.862 ± 0.003 Å
• α: 79.24 ± 0.03°
• β: 82.14 ± 0.03°
• γ: 78.34 ± 0.03°
• Cell volume: 1305.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes