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Issue 5, 1987
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Thermally induced phase transition and X-ray crystal structure of bis(N,N′-dimethyl-1,2-ethanediamine)di-isothiocyanatonickel(II)

Abstract

The complex [Ni(MeNHCH2CH2NHMe)2(NCS)2](1) has been synthesised and characterised by X-ray crystallography. It undergoes an irreversible endothermic phase transition (452.5–468.5 K, ΔH= 13.4 kJ mol–1) to species (2) which reverts to (1) in a humid atmosphere. Complex (1) crystallises in the monoclinic space group C2/c with a= 13.069(2), b= 9.783(3), c= 15.074(4)Å, β= 111.40(2)°, and Z= 4. The structure has been solved by Patterson and successive Fourier methods and refined to R= 0.032 for 1 240 independent observed reflections. The co-ordination around the nickel atom, lying on a crystallographic inversion centre, is close to octahedral with the two thiocyanate N atoms in trans position. The chelate rings exist in the δλ conformation. For complex (2), a=b= 8.16(3), c= 7.53(2)Å, α=β= 107.0(2), γ= 73.6(3)°, and Z= 1. Crystallographic and i.r. spectroscopic data suggest a non-centrosymmetric structure for (2) with a qualitative change in the conformation of the complex to δδ or λλ.

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Article information


J. Chem. Soc., Dalton Trans., 1987, 997-1000
Article type
Paper

Thermally induced phase transition and X-ray crystal structure of bis(N,N′-dimethyl-1,2-ethanediamine)di-isothiocyanatonickel(II)

A. K. Mukherjee, M. Mukherjee, A. J. Welch, A. Ghosh, G. De and N. R. Chaudhuri, J. Chem. Soc., Dalton Trans., 1987, 997
DOI: 10.1039/DT9870000997

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