Research Article

A Novel ZnII Complex Bearing Two Monodentate (4-Methoxyphenyl)[(1E, 2E)-3-phenylprop-2-en-1-ilidene] Schiff Bases: Crystal Structure and DFT Study

Table 2

Selected bond lengths (experimental and calculated) for the [ZnCl2(BS-4-OCH3)2] complex.

BondX-ray (Å)B3LYP/6-31G++ (Å)

Zn1-Cl12.238(2)2.2529
Zn1-Cl22.235(2)2.2493
Zn1-N12.108(4)2.1193
Zn1-N22.075(3)2.1192
N1-C11.284(7)1.3002
C1-C21.454(8)1.4352
C2-C31.340(7)1.3552
C1-H10.9301.0950
N2-C171.290(6)1.3006
C17-C181.444(7)1.4349
C18-C191.339(7)1.4349
C17-H170.9311.0948
R2 = 0.986104