Crystal and molecular structure of a zinc compound with schiff base

Full text: Transition metal complexes with Schiff base have attracted much attention due to potential applications and their structures [1] . Zinc has an essential role in biological systems, this feature, combined with its extremely rich redox chemistry makes it an excellent metal for the design of new complexes with antitumor activity [2] . In this paper the compound was structurally characterized by X-ray diffraction (XRD) at a temperature of 293 K using a single crystal with dimensions 0.06 x 0.02 x 0.01 mm³ . To collect the intensities was used the radiation MoKα (λ= 0.71073Ǻ). The structure of [Zn(C₁₃H₁₁N₇S)] shows that the unit cell belongs to the triclinic crystal system, space group P-1. The crystallographic parameters are: a = 6.822 (5), b = 8.068 (5)), c = 13,362 (5) Å, α = 97,115 (5), ß = 98 908 (6) and γ = 99 021 (5) °, Z = 2 molecules/unit cell, V = 713.4 (7) A3 is F (000) = 368.The resolution of the structure was performed by direct methods using the program Wing X [3] , SHELX 97 [3] and the model was refined by using full matrix least squares on F₂ . The central atom is zinc square planar geometry being bonded to three nitrogen atoms and one sulfur atom. The molecular arrangement is done by discrete units in a planar arrangement and the distributed units are parallel in the unit cell. The final model showed an index of disagreement R₁ = 0.0808, Rw = 0.2428 and S = 1.07. The results of interatomic distances and angles of the links are obtained by PLATON [3] according to the normal and expected values. (author)