Research Article

Synthesis, Molecular Modeling, and Biological Activity of Zinc(II) Salts with 1,4-Bis(benzimidazol-2-yl)benzene

Table 4

Molecular modeling data.

CompoundTotal energy (kJ/moL)Strain on metal (%)Molar volume (cm3/moL)

Ligand (A)
334.824ā€”264.9268

ZnCl2L H2O (B)969.361Zn 33.46709.4789
2Zn 41.38
3Zn 34.88

ZnBr2L 3H2O (C)946.261Zn32.19695.4039
2Zn 39.25
3Zn 39.25

ZnL2(OCH2CH2CH2CH3)2 (D)836.262Zn61.49716.2531

Zn(OClO3)2L HOCH2CH2CH2CH3 (E)975.156Zn48.24458.4137