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Journal of Structural Chemistry

2013 year, number 5


E.-J. Gao, T.-L. Liu, W. Jiao, L.-L. Jiang, D. Zhang, Y.-J. Zhang, J. Xu, G.-L. Wu
Shenyang University of Chemical Technology, Shenyang 110142, P. R. China
Keywords: Zn(II) complex, 2-mercaptonicotinic acid, crystal structure, coordination


A novel Zn(II) coordination polymer [Zn2(phen)2]L4×3H2O(1) is synthesized by the reaction of Zn(NO3)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) Å3; Z = 2, ρcalcd = 1.596 g×cm–3, F(000) = 664, R1 = 0.0708 and wR2 = 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 H2O 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.