Crystal structure of the salt bis-(tri-ethano-lamine-?(4) N,O,O',O'')cadmium bis[2-(2-oxo-2,3-di-hydro-1,3-benzo-thia-zol-3-yl)acetate].

ABSTRACT: The reaction of 2-(2-oxo-2,3-di-hydro-1,3-benzo-thia-zol-3-yl)acetic acid (NBTA) and tri-ethano-lamine (TEA) with Cd(CH3OO)2 resulted in the formation of the title salt, [Cd(C6H15NO3)2](C9H6NO3S)2. In its crystal structure, the complex cation [Cd(TEA)2](2+) and two independent NBTA(-) units with essentially similar geometries and conformations are present. In the complex cation, each TEA mol-ecule behaves as an N,O,O',O''-tetra-dentate ligand, giving rise to an eight-coordinate Cd(II) ion with a bicapped trigonal-prismatic configuration. All ethanol groups of each TEA mol-ecule form three five-membered chelate rings around the Cd(II) ion. The Cd-O and Cd-N distances are in the ranges 2.392?(2)-2.478?(2) and 2.465?(2)-2.475?(3)?Å, respectively. O-H?O hydrogen bonds between the TEA hy-droxy groups and carboxyl-ate O atoms connect cationic and anionic moieties into chains parallel to [110]. Each NBTA(-) anion is additionally linked to a symmetry-related anion through ?-? stacking inter-actions between the benzene and thia-zoline rings [minimum centroid-to-centroid separation = 3.604?(2)?Å]. Together with additional C-H?O inter-actions, these establish a double-layer polymeric network parallel to (001).

SUBMITTER: Ashurov JM 

PROVIDER: S-EPMC4910351 | biostudies-literature | 2016 Apr

REPOSITORIES: biostudies-literature