Solvent influence on the crystal structures of new cadmium tri-tert-but­oxy­silane­thiol­ate com­plexes with 1,4-bis­(3-amino­prop­yl)pi­per­a­zine: luminescence and anti­fungal activity

Monocrystals of dinuclear μ-1,4-bis­(3-amino­prop­yl)pi­per­a­zine-κ(4) N (1),N (1′):N (4),N (4′)-bis­[bis­(tri-tert-but­oxy­silane­thiol­ato-κS)cadmium(II)], [Cd(2)(C(12)H(27)O(3)SSi)(4)(C(10)H(24)N(4))] or [Cd(2){SSi(OtBu)(3)}(4)(μ-BAPP)], 1, and polynuclear catena-poly[[bis­(tri-tert-but­oxy­silane­thiol­ato-κS)cadmium(II)]-μ-1,4-bis­(3-amino­prop­yl)pi­per­a­zine-κ(2) N (1′):N (4′)], [Cd(C(12)H(27)O(3)SSi)(2)(C(10)H(24)N(4))]( n ) or [Cd{SSi(OtBu)(3)}(2)(μ-BAPP)]( n ), 2, with 1,4-bis­(3-amino­prop­yl)pi­per­a­zine (BAPP) and tri-tert-but­oxy­silane­thiol­ate ligands, were obtained from the same ratio of reactants, but with different solvents used for the crystallization processes. The structures and properties of both com­plexes were characterized using elemental analysis, X-ray diffraction and FT–IR, (1)H NMR and luminescence spectroscopy. Applied density functional theory (DFT) com­putational methods and noncovalent inter­action (NCI) analysis were used for geometry optimization and visualization of the inter­actions between the metallic centres and their surroundings. The X-ray analysis revealed four-coordinate Cd(II) centres bound to two S atoms of the silanethiolate groups and two N atoms of the BAPP ligand; however, it chelates to tertiary and primary N atoms in 1, whilst in 2 it does not chelate and bonds only to RNH(2). The photoluminescence properties of com­plexes 1 and 2 result from free-ligand emission and differ significantly from each other with respect to emission intensity. Additionally, anti­fungal activity was investigated against 18 isolates of fungi. Compound 1 strongly inhibited the growth of three dermato­phytes: Epidermophyton floccosum, Microsporum canis and Trichophyton rubrum.