Crystal structure peculiarities of silver (I) p-toluenesulphonate complex with 3-allyl-2-sulfanylideneimidazolidin-4-one of [Ag2(L)4(CH3C6H4SO3)2] composition

Abstract

Crystalline complex of [Ag 2 (L) 4 (CH 3 C 6 H 4 SO 3 ) 2 ] composition ( 1 ) (L – 3-allyl-2-sulfanylideneimidazolidin-4-one) has been obtained and studied by X-ray single crystal diffraction. The structure was solved by ShelXT and refined by least squares method on F 2 by ShelXL software with graphical user interface of OLEX 2 . Atomic displacements for Ag and S atoms have been refined using an anisotropic model and for the C, N and O atoms – using isotropic mode. Hydrogen atoms were placed in geometrically calculated positions and refined as riding atoms with relative isotropic displacement parameters. Complex 1 crystallizes in centro symmetric space group P-1 : a = 12.377(7) Å, b = 14.344(8) Å , c = 15.490(13) Å , α = 101.51(6)º , β = 112.50(7)º , γ = 102.08(5)º , V = 2362(3)Å 3 . Crystal structure of compound 1 , has a clearly expressed chain character. Coordination polymer is formed by Ag + cations, which are bonded through bridging S atoms of L molecules and O atoms of p -toluenesulphonate ions. In the structure 1 , three crystallography-independent Ag(I) atoms are presented. Each of them possesses a slightly different coordination environment. Coordination surrounding of Ag1 could be treated as tetragonal-pyramidal ( τ 5 =0.15). The apical position of metal surrounding is occupied by S atom of one L molecule (Ag1-S3 distance is equal to2.864(7) Å), equatorial sites are occupied by S1, S2, O25 and O36 atoms (deviation of the Ag1 from the averaged plane of tetragonal-pyramidal base is equal to 0.276(2) Å).Ag2 and Ag3 atoms have similar distorted tetragonal-bipyramidal coordination environment, both of which include four L thiogroup S atoms and two O atoms of two p -toluenesulphonate ions. Diverse coordination modes of silver (I) is possible due to the flexibility of ligand allyl group. Hydrogen bonds between NH-group of L molecules and O atoms of CH 3 C 6 H 4 SO 3 – anions are formed within one coordination chain. Keywords : silver(І), coordination compound, imidazolidin-4-one, crystal structure.