Synthesis and characterization of 2-amino-3-methylpyridinium dihydrogenomonoarsenate

A new crystal of 2-amino-3-methylpyridinium dihydrogenomonoarsenate has been prepared and characterized by X-ray crystallography, thermal analysis and spectroscopic studies. This compound crystallizes in the triclinic space group with a = 7.2689 (2) Å, b = 8.0975 (2) Å, c = 8.3969 (4) Å, α = 77.09 (3)°, β = 79.20 (3)°, γ = 88.16 (2)°, V = 473.19 (3) Å³, Z = 2. The crystal structure was solved and refined to R = 0.027 with 3375 independent reflections. The atomic arrangement can be described as (H₂AsO₄⁻)_n polymeric chains anchoring the 2-amino-3-methylpyridinium cations through short hydrogen bonds. All the ring atoms of the organic entity are coplanar. The exocyclic N atom is an electron receiving center, which is consistent with features of imino resonance evidenced by bond lengths and angles. Solid-state ¹³C and ¹⁵N CP-MAS-NMR spectroscopies are in agreement with the X-ray structure. Ab initio calculations allow the attribution of carbons and nitrogen to the independent crystallographic sites.