Crystal structure, shape analysis and bioactivity of new Li I , Na I and Mg II complexes with 1,10-phenanthroline and 2-(3,4-dichlorophenyl)acetic acid.

Reactions of 1,10-phenanthroline (phen) and 2-(3,4-dichlorophenyl)acetic acid (dcaH) with Mn (CO3 ) (M = LiI , NaI and MgII ; n = 1 and 2) in MeOH yield the mononuclear lithium complex aqua[2-(3,4-dichlorophenyl)acetato-κO](1,10-phenanthroline-κ2 N,N')lithium(I), [Li(C8 H5 Cl2 O2 )(C12 H8 N2 )(H2 O)] or [Li(dca)(phen)(H2 O)] (1), the dinuclear sodium complex di-μ-aqua-bis{[2-(3,4-dichlorophenyl)acetato-κO](1,10-phenanthroline-κ2 N,N')sodium(I)}, [Na2 (C8 H5 Cl2 O2 )2 (C12 H8 N2 )2 (H2 O)2 ] or [Na2 (dca)2 (phen)2 (H2 O)2 ] (2), and the one-dimensional chain magnesium complex catena-poly[[[diaqua(1,10-phenanthroline-κ2 N,N')magnesium]-μ-2-(3,4-dichlorophenyl)acetato-κ2 O:O'] 2-(3,4-dichlorophenyl)acetate monohydrate], {[Mg(C8 H5 Cl2 O2 )(C12 H8 N2 )(H2 O)2 ](C8 H5 Cl2 O2 )·H2 O}n or {[Mg(dca)(phen)(H2 O)2 ](dca)·H2 O}n (3). In these complexes, phen binds via an N,N'-chelate pocket, while the deprotonated dca- ligands coordinate either in a monodentate (in 1 and 2) or bidentate (in 3) fashion. The remaining coordination sites around the metal ions are occupied by water molecules in all three complexes. Complex 1 crystallizes in the triclinic space group P-1 with one molecule in the asymmetric unit. The Li+ ion adopts a four-coordinated distorted seesaw geometry comprising an [N2 O2 ] donor set. Complex 2 crystallizes in the triclinic space group P-1 with half a molecule in the asymmetric unit, in which the Na+ ion adopts a five-coordinated distorted spherical square-pyramidal geometry, with an [N2 O3 ] donor set. Complex 3 crystallizes in the orthorhombic space group P21 21 21 , with one Mg2+ ion, one phen ligand, two dca- ligands and three water molecules in the asymmetric unit. Both dcaH ligands are deprotonated, however, one dca- anion is not coordinated, whereas the second dca- anion coordinates in a bidentate fashion bridging two Mg2+ ions, resulting in a one-dimensional chain structure for 3. The Mg2+ ion adopts a distorted octahedral geometry, with an [N2 O4 ] donor set. Complexes 1-3 were evaluated against urease and α-glucosidase enzymes for their inhibition potential and were found to be inactive.