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Journal of Structural Chemistry

2014 year, number 4

Unusual layer structure in an ion-paired compound containing tetra(isothiocyanate)cobalt(II) dianion and 4-nitrobenzylpyridinium: crystal structure and magnetic properties

H.-Q. Ye, Y.-Y. Li, R.-K. Huang, X.-P. Liu, W.-Q. Chen, J.-R. Zhou, L.-M. Yang, C.-L. Ni
Institute of Biomaterial, South China Agricultural University, Guangzhou, P. R. China
Keywords: 1-(4Вў-nitrobenzyl)pyridinium, tetra(isothiocyanate)cobalt(II) anion, layer structure, magnetic properties

Abstract

A new ion-paired compound [4NO 2BzPy] 2[Co(NCS) 4] (1) ([4NO 2BzPy] + = 1-(4'-nitrobenzyl)pyridinium, NCS - = isothiocyanate) is synthesized and characterized by elemental analysis, IR and UV-Vis spectra, ESI-MS and single crystal X-ray diffraction. Compound 1 is orthorhombic, space group Pbcn, with a = 13.188(2) Å, b = 8.458(1) Å, c = 29.281(4) Å, V = 3266.2(7) Å 3, D calcd = 1.468 g/cm 3, Z = 4, F(000) = 1476, R 1 = 0.0332. The [Co(NCS) 4] 2- anions form an unusual layer structure by S⋯N and S⋯Co interactions, while the [4NO 2BzPy] + cations stack into a 1D column by the p⋯π stacking interaction in the solid state of 1. A magnetic measurement in the range 2-300 K shows a weak antiferromagnetic exchange with θ = -2.42 K in 1.