Cadmium(II) compounds of the bis-cyanoethyl derivative (LCX) of Me8[14]aneC (LC): characterization and antibacterial studies.

The isomeric ligand LC, a saturated analogue of 2,9-C-meso-Me8[14]diene, on reflux with excess acrylonitrile afforded 1,8-N-pendant cyanoethyl derivative LCX. Interaction of LCX with cadmium(II) perchlorate, nitrate, acetate, and chloride salts produced six coordinated octahedral compounds, [Cd(LCX) (ClO4)2]∙2H2O, [Cd(LCX) (NO3)2], [Cd(LCX) (CH3COO)2], and [Cd(LCX)Cl2], respectively. Further, axial substitution reactions between [Cd(LCX) (ClO4)2]∙2H2O and KI, KBr, KCl, KSCN, and NaNO2 in a 1:2 ratio yielded six coordinated octahedral compounds, [Cd(LCX)I2]∙H2O, [Cd(LCX)Br2]∙2H2O, [Cd(LCX)Cl(ClO4)]∙2H2O, [Cd(LCX) (NCS)2]∙H2O, and [Cd(LCX) (NO2) (ClO4)]∙2H2O, respectively. All of the newly prepared compounds have been characterized by analytical, spectroscopic, molar conductivity, and magnetochemical data. The crystal structure of the ligand LCX was determined by x-ray crystallography which showed the 14-membered ring to adopt an extended chair conformation. Antibacterial activities of the newly formed cadmium(II) complexes against selected bacteria showed these to exhibit moderate and selective activity with 1-4 and 8 exhibiting greatest potency against the gram negative bacterium Salmonella typhi, and 5, 6, and 7 against the gram positive bacterium Bacillus wiedmannii.

[rac-1,8-Bis(2-carbamoyleth-yl)-5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-ne]copper(II) di-acetate tetra-hydrate: crystal structure and Hirshfeld surface analysis.

The title CuII macrocyclic complex salt tetra-hydrate, [Cu(C22H46N6O2)](C2H3O2)2·4H2O, sees the metal atom located on a centre of inversion and coordinated within a 4 + 2 (N4O2) tetra-gonally distorted coordination geometry; the N atoms are derived from the macrocycle and the O atoms from weakly associated [3.2048 (15) Å] acetate anions. Further stability to the three-ion aggregate is provided by intra-molecular amine-N-H⋯O(carboxyl-ate) hydrogen bonds. Hydrogen bonding is also prominent in the mol-ecular packing with amide-N-H⋯O(amide) inter-actions, leading to eight-membered {⋯HNCO}2 synthons, amide-N-H⋯O(water), water-O-H⋯O(carboxyl-ate) and water-O-H⋯O(water) hydrogen bonds featuring within the three-dimensional architecture. The calculated Hirshfeld surfaces for the individual components of the asymmetric unit differentiate the water mol-ecules owing to their distinctive supra-molecular association. For each of the anion and cation, H⋯H contacts predominate (50.7 and 65.2%, respectively) followed by H⋯O/O⋯H contacts (44.5 and 29.9%, respectively).