Abstract
The present work is directed toward preparation and structural characterization of two novel Cu(I) arylsulfonate π-complexes with 3-allyl-2-thiohydantoin, namely [Cu2(Hath)4](C6H5SO3)2 (1) and [Cu2(Hath)4](p-CH3C6H4SO3)2 · 2H2O (2) (Hath = 3-allyl-2-thiohydantoin), obtained by the means of alternating current electrochemical synthesis and studied with X-ray diffraction method. In both structures, the inner coordination sphere is represented by the cationic dimer [Cu2(Hath)4]2+ with one crystallographically independent copper(I) atom which has a trigonal pyramidal coordination environment formed by three Hath thiogroup S atoms and double C=C bond of its allyl group. [Cu2(Hath)4]2+ fragments in both coordination compounds are very similar, despite some divergences such as a big difference in Cu−S distance to the apical S atom (3.0374(8) Å in 1 and 2.7205(9) Å in 2). This difference was explained by the impact of the system of weak interactions, which are quite different.
Highlights
In the last years both 2-thiohydantoin (2-thioxoimidazolidin-4-ones) and hydantoin core fragments were studied as useful scaffolds in medicinal chemistry due to their synthetic feasibility and versatility of substituents. 1–5 their derivatives are already used in commercially available drugs such as Phenytoin, Dantrolene and Allantoin
The present work is directed toward preparation and structural characterization of two novel Cu(I) arylsulfonate π-complexes with 3-allyl-2-thiohydantoin, namely [Cu2(Hath)4](C6H5SO3)[2] (1) and [Cu2(Hath)4](p-CH3C6H4SO3)2 · 2H2O (2) (Hath = 3-allyl-2-thiohydantoin), obtained by the means of alternating current electrochemical synthesis and studied with X-ray diffraction method
The inner coordination sphere is represented by the cationic dimer [Cu2(Hath)4]2+ with one crystallographically independent copper(I) atom which has a trigonal pyramidal coordination environment formed by three Hath thiogroup S atoms and double C=C bond of its allyl group. [Cu2(Hath)4]2+ fragments in both coordination compounds are very similar, despite some divergences such as a big difference in Cu−S distance to the apical S atom (3.0374(8) Å in 1 and 2.7205(9) Å in 2)
Summary
In the last years both 2-thiohydantoin (2-thioxoimidazolidin-4-ones) and hydantoin core fragments were studied as useful scaffolds in medicinal chemistry due to their synthetic feasibility and versatility of substituents. 1–5 their derivatives are already used in commercially available drugs such as Phenytoin, Dantrolene and Allantoin. The inner coordination sphere is represented by the cationic dimer [Cu2(Hath)4]2+ with one crystallographically independent copper(I) atom which has a trigonal pyramidal coordination environment formed by three Hath thiogroup S atoms and double C=C bond of its allyl group.
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