Information card for entry 2239252

Structure parameters

• Chemical name: 2-Amino-6-methylpyridinium 2,2,2-trichloroacetate
• Formula: C8 H9 Cl3 N2 O2
• Calculated formula: C8 H9 Cl3 N2 O2
• SMILES: c1(cccc(C)[nH+]1)N.C(=O)(C(Cl)(Cl)Cl)[O-]
• Title of publication: 2-Amino-6-methylpyridinium 2,2,2-trichloroacetate
• Authors of publication: Babu, K. Syed Suresh; Peramaiyan, G.; NizamMohideen, M.; Mohan, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o391 - o392
• a: 11.6376 ± 0.0005 Å
• b: 14.6648 ± 0.0006 Å
• c: 13.91 ± 0.0006 Å
• α: 90°
• β: 96.024 ± 0.001°
• γ: 90°
• Cell volume: 2360.81 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes