Synthesis, crystal structure and Hirshfeld surface analysis of sulfamethoxazolium methyl-sulfate monohydrate.

ABSTRACT: The mol-ecular salt sulfamethoxazolium {or 4-[(5-methyl-1,2-oxazol-3-yl)sulf-amo-yl]anilinium methyl sulfate monohydrate}, C₁₀H₁₂N₃O₃S⁺·CH₃O₄S^-·H₂O, was prepared by the reaction of sulfamethoxazole and H₂SO₄ in methanol and crystallized from methanol-ether-water. Protonation takes place at the nitro-gen atom of the primary amino group. In the crystal, N-H⋯O hydrogen bonds (water and methyl-sulfate anion) and inter-molecular N-H⋯N inter-actions involving the sulfonamide and isoxazole nitro-gen atoms, link the components into a tri-dimensional network, additional cohesion being provided by face-to-face π-π inter-actions between the phenyl rings of adjacent mol-ecules. A Hi

SUBMITTER: Moroni AB 

PROVIDER: S-EPMC11451484 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature