Synthesis, Molecular Modeling, and Biological Activity of Zinc(II) Salts with 1,4-Bis(benzimidazol-2-yl)benzene
Table 2
1H-NMR spectral data of the ligand and complexes in DMSO-d6 (δ in p.p.m).
Compounda
H-2′
H-3′
H-5′
H-6′
H-4
H-5
H-6
H-7
N-H
L
8.35s
8.35s
8.35s
8.35s
7.41d
7.23m
7.25m
7.69d
13.05s
ZnCl2LH2O
8.35s
8.35s
8.35s
8.35s
7.72d
7.24t
7.24t
7.56d
13.04s
—
—
—
—
(−0.01)
ZnBr2L·3H2O
8.43s
8.43s
8.43s
8.43
7.76q
7.41m
7.41m
7.75q
13.05
(0.07)
(0.08)
(0.08)
(0.08)
(0.35)
(0.18)
(0.16)
(0.06)
—
ZnL2(OCH2CH2CH2CH3)2
8.34s
8.34
8.34
8.34
7.68d
7.55t
7.23t
7.23t
13.03s
(−0.02)
Zn(OClO3)2LHOCH2CH2CH2CH3
8.36s
8.36s
8.36s
8.36
7.65b
7.25s
7.25
7.65b
13.04
(0.01)
(0.01)
(0.01)
(0.01)
(0.24)
(0.02)
—
(−0.01)
aSpectra recorded in dmso-d6, s: singlet, d: doublet, t: triplet, m: multiplet, b: broad. Values in the parentheses are coordination induced shifts (c.i.s) = .