Synthesis, structural characterization, and biological application of p-[N,N-bis(2-chloroethyl) aminobenzaldehyde thiosemicarbazone and its nickel (II) complex

Abstract

New complex of Ni(II) with p-[N,N-bis(2-chloroethyl)]aminobenzaldehyde thiosemicarbazone (CEABTSC) have been synthesized and characterized by elemental analysis, IR, electronic, and 1H NMR spectroscopy. The crystal structure of the free ligand has been determined by single-crystal X-ray diffraction technique. The compound crystallizes in the Triclinic crystal system with space group P-1, Z = 2, Calculated density = 1.392 mg/m3, V = 761.64(18) A3 with unit cell parameters a = 8.2847(11) Å, ? = 99.074°, b = 8.7432(12) Å, ? = 94.035(7)°, c = 11.2423(15) Å, ? = 107.337(6)°; final R<inf>1</inf> and wR<inf>2</inf> are 0.0796 and 0.3021, respectively. The crystal structure reveals that the compound exists in the thione form and C12 and C11 are at E configuration to each other with respect to N2-N3 bond. The packing of the molecules in the crystal lattice is stabilized by intramolecular N(3)-H(3).S(1) and N(4)-H(4D).S(1) hydrogen bonds resulting in the formation of edge fused R<inf>2</inf>2(8) ring motif. In the complex, thiosemicarbazone ligand is coordinated to nickel through (1:2 complex) SNNS mode. The complex has been tested for their antibacterial activity against various pathogenic bacteria. © 2015 Copyright © Taylor & Francis Group, LLC.