Crystal Research and Technology
Cryst. Res. Technol. 41, 198 (2006) - Abstract -

Synthesis and X-ray structure of two conformational isomers of [Zn(medpt)(SCN)2], medpt = bis (3 – aminopropyl)methylamine

S. Guha, A. K. Mukherjee, T. K. Maji*, and N. Ray Chaudhuri*

Department of Physics, Jadavpur University, Kolkata – 700032, India
*Department of Chemistry, Indian Association for the Cultivation of Science, Jadavpur, Kolkata – 700032, India

Keywords conformational isomers, crystal structure, zinc complexes, supramolecular structure, triamine complexes
PACS 61.66.Hq
DOI 10.1002/crat.200510555

Two conformational isomers of [Zn (medpt)(NCS)2], medpt=bis(3-aminopropyl) methylamine, (1) and (2) have been synthesised and the crystal structures are determined using single crystal X-ray diffraction. The structures of the complexes have been solved by Patterson method and refined by full-matrix least- squares techniques to R1=0.0524 for (1) and R1=0.0506 for (2), respectively. The geometry around the Zn(II) centre in both isomers is distorted trigonal bipyramidal. The two pendent thiocyanate moieties in (1), with Zn-N-C angles 167.9(4)-173.9(4)º, coordinate the mental centre almost linearly while the corresponding coordinations in (2) are significantly bent [Zn-N-C angles 150.8(3)-153.1(2)°]. Intermolecular N-H…S hydrogen bonds stabilise the crystal packing in the complexes forming infinite chains parallel to the [100] direction. The combinations of molecular chains generate three/two dimensional supramolecular framework in complexes (1) and (2).




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