No abstract

The crystallographic and molecular docking investigations and the determinations of the cytotoxic activities of the dispirocyclic ferrocenylphosphazenes were performed.

The title compounds, ¿4,4'-dibromo-2,2'-[1, 3-propanediylbis(nitrilomethylidyne-N)]diphenolato-O,O '¿nickel(II), [Ni(C(17)H(14)Br(2)N(2)O(2))], and ¿4,4'-dichloro-2,2'-[1, 3-propanediylbis(nitrilomethylidyne-N)]diphenolato-O,O '¿copper(II), [Cu(C(17)H(14)Cl(2)N(2)O(2))], lie on crystallographic twofold axes. In both structures, the metal coordination sphere is a tetrahedrally distorted square plane formed by the four-coordinate N(2)O(2) donor set of the Schiff base imine-phenol ligands. In the Ni compound, the Ni-O and Ni-N distances are 1.908 (3) and 1.959 (4) A, respectively, while in the Cu compound, the Cu-O and Cu-N distances are 1.907 (2) and 1.960 (2) A, respectively. The two Schiff base moieties, which themselves are nearly planar, are inclined at an angle of 29.26 (7) degrees for the Ni compound and 29.26 (5) degrees for the Cu compound.

No abstract

Condensation of 2-hydroxy-3-methoxybenzaldehyde with m-phenylenediamine (1,3-diaminobenzene) (m-pda) gives the ligand [N,N′-bis(2-hydroxy-3-methoxybenzylidene)-1,3-diaminobenzene] which reacts with cupric acetate to give the complex [Cu2(L-m-pda)2]·2H2O, [L = 2-hydroxy-3- methoxybenzaldehyde)]. The molecular structure of the complex [Cu2(L-m-pda)2]·2H2O has been determined by single-crystal X-ray analysis. (C44H40Cu2N4O8)·2H2O, triclinic, space group P1̄. Two [Cu(L-m-pda)] fragments, related by an inversion center, are connected by m-phenylene groups to form a binuclear unit. The coordination geometry around each copper(II) can be described as a distorted tetrahedron formed by the N2O2 donor set of the Schiff base ligands. The intramolecular Cu···Cu separation is 7.401(6) Å. The magnetic susceptibility of the complex in the 5 - 301 K temperature range can be rationalized by the parameters J = −0.4 cm−1 and g = 2.17. This indicates a weak intramolecular antiferromagnetic interaction. Extended Hückel molecular orbital (EHMO) calculations have been performed in order to gain insight into the molecular orbitals that participate in the super-exchange pathway.

No abstract

No abstract

No abstract