Abstract
In the asymmetric unit of the title salt [systematic name: 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium pyridine-3-sulfonate], C12H14N4Cl+·C5H4NSO3 −, there are two independent pyrimethaminium cations and two 3-pyridine sulfonate anions. Each sulfonate group interacts with the corresponding protonated pyrimidine ring through two N—H⋯O hydrogen bonds, forming a cyclic hydrogen-bonded bimolecular R 2 2(8) motif. Even though the primary mode of association is the same, the next higher level of supramolecular architectures are different due to different hydrogen-bonded networks. In one of the independent molecules in the asymmetric unit, the pyrimethamine cation is paired centrosymmetrically through N—H⋯N hydrogen bonds, generating an R 2 2(8) ring motif. In the other molecule, the pyrimethamine cation does not form any base pairs; instead it forms hydrogen bonds with the 3-pyridine sulfonate anion. The structure is further stabilized by C—H⋯O, C—H⋯N and π–π stacking [centroid–centroid distance = 3.9465 (13) Å] interactions.
Highlights
In the asymmetric unit of the title salt [systematic name: 2,4diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium pyridine3-sulfonate], C12H14N4Cl+C5H4NSO3, there are two independent pyrimethaminium cations and two 3-pyridine sulfonate anions
A variety of strategies have been adopted by solid state chemist to tailor the physiochemical properties of an active pharmaceutical ingredient (API)
It is evident that sulfonates, as usual has a penchant for the formation of bidentate motif and the intermolecular interactions involved in this structure paves way to the formation of two different hydrogen bonded arrays
Summary
R factor = 0.048; wR factor = 0.142; data-to-parameter ratio = 23.5. In the asymmetric unit of the title salt [systematic name: 2,4diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium pyridine3-sulfonate], C12H14N4Cl+C5H4NSO3, there are two independent pyrimethaminium cations and two 3-pyridine sulfonate anions. Each sulfonate group interacts with the corresponding protonated pyrimidine ring through two N—. H O hydrogen bonds, forming a cyclic hydrogen-bonded bimolecular R22(8) motif. Even though the primary mode of association is the same, the higher level of supramolecular architectures are different due to different hydrogen-bonded networks. In one of the independent molecules in the asymmetric unit, the pyrimethamine cation is paired centrosymmetrically through N—H N hydrogen bonds, generating an R22(8) ring motif. The pyrimethamine cation does not form any base pairs; instead it forms hydrogen bonds with the 3-pyridine sulfonate anion.
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