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).

Compound^a	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
[ZnCl2L]H2O	8.35s	8.35s	8.35s	8.35s	7.72d	7.24t	7.24t	7.56d	13.04s
	—	—	—	—	(−0.31)	(0.01)	(−0.01)	(−0.13)	(−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
	(−0.01)	(−0.01)	(−0.01)	(−0.01)	(0.27)	(0.32)	(−0.02)	(−0.46)	(−0.02)
[Zn(OClO3)2L]HOCH2CH2CH2CH3	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)	—	(−0.04)	(−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) = 𝛿_complex−𝛿_ligand.