Information card for entry 2235148

Structure parameters

• Chemical name: 2-Amino-4,6-dimethoxypyrimidin-1-ium 2,2-dichloroacetate
• Formula: C8 H11 Cl2 N3 O4
• Calculated formula: C8 H11 Cl2 N3 O4
• SMILES: ClC(Cl)C(=O)[O-].n1c([nH+]c(OC)cc1OC)N
• Title of publication: 2-Amino-4,6-dimethoxypyrimidin-1-ium 2,2-dichloroacetate
• Authors of publication: Lin, Cui-Hua; Liu, Nai-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1898
• a: 6.8502 ± 0.0014 Å
• b: 8.6667 ± 0.0017 Å
• c: 11.255 ± 0.002 Å
• α: 67.48 ± 0.001°
• β: 87.32 ± 0.002°
• γ: 85.97 ± 0.002°
• Cell volume: 615.6 ± 0.2 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: 0.0654
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1747
• Weighted residual factors for all reflections included in the refinement: 0.1996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes