Crystal structure of the salt bis(triethanolamine-κ4N,O,O′,O′′)cadmium bis[2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetate]

Abstract

The reaction of 2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetic acid (NBTA) and triethanolamine (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 molecule behaves as an N,O,O′,O′′-tetradentate ligand, giving rise to an eight-coordinate CdII ion with a bicapped trigonal–prismatic configuration. All ethanol groups of each TEA molecule form three five-membered chelate rings around the CdII 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 hydroxy groups and carboxylate O atoms connect cationic and anionic moieties into chains parallel to [110]. Each NBTA− anion is additionally linked to a symmetry-related anion through π–π stacking interactions between the benzene and thiazoline rings [minimum centroid-to-centroid separation = 3.604 (2) Å]. Together with additional C—H...O interactions, these establish a double-layer polymeric network parallel to (001).

Keywords

• crystal structure
• cadmium(II) complex
• triethanolamine
• 2-(2-oxo-2,3-dihydro-1,3-benzothiazolin-3-yl)acetate
• hydrogen bonding