Crystal structure of 2,4-diamino-6-oxo-3,6-dihydropyrimidin-1-ium p-toluenesulfonate
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چکیده
In the title salt, C4H7N4O(+)·C7H7O3S(-), the 2,6-di-amino-4-oxo-1,3-di-hydro-pyrimidin-1-ium cation inter-acts with the sulfonate group of the p-toluene-sulfonate anion via a pair of N-H⋯O hydrogen bonds, forming a hetero-synthon R 2 (2)(8) that mimics the role of a carboxyl-ate. The self-assembled cations form a homo-synthon R 2 (1)(6) motif which is further linked with the sulfonate anion via N-H⋯O hydrogen bonds to generate an R 3 (2)(10) ring motif. The three motifs are fused together and extended as supra-molecular ribbons along the b-axis direction. Adjacent ribbons are further linked via N-H⋯O hydrogen bonds to form an annulus, with an R 4 (4)(20) ring motif, resulting in a tunnel-like arrangement propagating along [010]. There are slipped parallel π-π stacking inter-actions [inter-centroid distance = 3.6539 (7) Å], between the tunnel-like polymer chains, forming slabs parallel to (100).
منابع مشابه
Bis(2-amino-4-methyl-6-oxo-3,6-dihydropyrimidin-1-ium) sulfate monohydrate
In the title hydrated mol-ecular salt, 2C5H8N3O(+)·SO4 (2-)·H2O, the components are linked by N-H⋯Os and Ow-H⋯Os (s = sulphate, w = water) hydrogen bonds, generating a layer by a+b+c and 2a-b translations. The cations are arranged nearly in parallel and show displaced π-π stacking centroid-centroid distance = 4.661 (2) Å between adjacent layers.
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