Information card for entry 2017195

Structure parameters

• Chemical name: 2-amino-5-chloropyridinium trichloroacetate
• Formula: C7 H6 Cl4 N2 O2
• Calculated formula: C7 H6 Cl4 N2 O2
• SMILES: [O-]C(=O)C(Cl)(Cl)Cl.Clc1c[nH+]c(cc1)N
• Title of publication: Hydrogen-bonded network in the trichloroacetate salts of 2-amino-5-chloropyridinium and 2-methyl-5-nitroanilinium monohydrate
• Authors of publication: Janczak, Jan; Perpétuo, Genivaldo Julio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o339 - o341
• a: 5.6426 ± 0.0011 Å
• b: 17.512 ± 0.003 Å
• c: 11.323 ± 0.002 Å
• α: 90°
• β: 94.36 ± 0.01°
• γ: 90°
• Cell volume: 1115.6 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0473
• 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