X-Ray Structure Analyses and Biological Evaluations of a New Cd(II) Complex With S-Triazine Based Ligand

Abstract

The crystal structure of a new penta-coordinated Cd(II) complex of the formula [Cd(BPMT)Br-2] was presented. This Cd(II) complex was synthesized by mixing Cd(NO3)(2)center dot 4H(2)O and 2,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine (BPMT) in the presence of KBr. It crystallized in the monoclinic crystal system and P2(1)/n space group. The crystal parameters are a = 11.3680(8) angstrom, b = 11.1648(8) angstrom, c = 15.8593(11) angstrom, and beta = 103.563(2)degrees, while the unit cell volume is 2190.6(12) angstrom(3) and it comprised four molecules. The supramolecular structure of the [Cd(BPMT)Br-2] complex is mainly controlled by the intermolecular Br center dot center dot center dot H interactions. Hirshfeld calculations predicted the H center dot center dot center dot H (38.1%), Br center dot center dot center dot H (24.3%), C center dot center dot center dot H (11.1%), and N center dot center dot center dot H (9.5%) interactions are the most dominant. Biological evaluations for the antimicrobial and anticancer properties of the studied complex are presented. The Cd(II) complex has better anticancer and antibacterial activities than the free BPMT ligand. The anticancer activity against lung carcinoma (A-549) is higher for the former (18.64 +/- 1.09 mu g/mL) compared to the latter (372.79 +/- 13.64 mu g/mL). Additionally, the best antibacterial activity for the Cd(II) complex was found against B. subtilis.