Crystal structure of a new transition metal-organic Zn(II) complex

• Published in: Journal of structural chemistry 2013-09, Vol.54 (5), p.972-977
• Main Authors: Gao, E. -J., Liu, T. -L., Jiao, W., Jiang, L. -L., Zhang, D., Zhang, Y. -J., Xu, J., Wu, G. -L.
• Format: Article
• Language: English
• Subjects: Atomic; Atomic/Molecular Structure and Spectra; Brief Communications; Chemistry; Chemistry and Materials Science; Inorganic Chemistry; Molecular; Optical and Plasma Physics; Physical Chemistry; Solid State Physics
• ISSN: 0022-4766; 1573-8779
• DOI: 10.1134/S002247661305020X

A novel Zn(II) coordination polymer [Zn 2 (phen) 2 ]L 4 ·3H 2 O(1) is synthesized by the reaction of Zn(NO 3 ) 2 , Phen(1,10-phenanthroline), and L(2-mercaptonicotinic acid) at room temperature and structurally characterized by X-ray single crystal diffraction along with IR spectra and elemental analysis. Title complex 1 belongs to the triclinic system with the space group ( P -1), a = 10.9373(11) Å, b = 11.6201(12) Å, c = 13.1371(14) Å; α = 116.100(1)°, β = 97.717(2)°, γ = 108.652(2)°, V = 1344.4(2) Å 3 ; Z = 2, ρ calc = 1.596 g·cm −3 , F (000) = 664, R 1 = 0.0708 and wR 2 = 0.1823 independent reflections for 18523 observed ones ( I > 2σ( I )), and the zinc atom is rendered five-coordinated in a distorted tetragonal pyramid coordination geometry by two nitrogen atoms from the phen molecule, two oxygen atoms from two L molecules, and an oxygen atom from the H 2 O molecule. Complex 1 forms a 1D chain by O-H…O hydrogen bonds from free-water, while the 2D layer structure is formed by C-H…O hydrogen bonds through the L ligand of adjacent chains. These compounds further result in a 3D network structure by the intermolecular π…π stacking interaction of the neighbouring layers.