Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 9 (September 2013)


Acta Cryst. (2013). C69, 981-985    [ doi:10.1107/S0108270113021148 ]

Heteroscorpionate complexes based on bis­(3,5-di-tert-butyl­pyrazol-1-yl)di­thio­acetate

S. Tampier and N. Burzlaff

Abstract: The heteroscorpionate ligand bis­(3,5-di-tert-butyl­pyrazol-1-yl)di­thio­acetate (bdtbpzdta) has been synthesized by reacting bis­(3,5-di-tert-butyl­pyrazol-1-yl)methane with n-BuLi and CS2. The ligand was isolated as [bis­(3,5-di-tert-butyl­pyrazol-1-yl)di­thio­acetato](tetra­hydro­furan)­lithium(I) tetra­hydro­furan mono­solvate, [Li(C24H39N4S2)(C4H8O)]·C4H8O or [Li(bdtbpzdta)(THF)]·THF, in which the lithium cation is bound by the [kappa]3N,N',S-coordinated heteroscorpionate ligand. A similar coordination mode is observed for a zinc chloride complex bearing the bdtbpzdta ligand, namely [bis­(3,5-di-tert-butyl­pyrazol-1-yl)di­thio­acetato]­chlorido­zinc(II), [Zn(C24H39N4S2)Cl] or [Zn(bdtbpzdta)Cl], which exhibits [kappa]3N,N',S-coordination and resembles the active site of zinc-containing peptide de­formyl­ases (PDFs).

Formula: [Li(C24H39N4S2)(C4H8O)]·C4H8O and [Zn(C24H39N4S2)Cl]

Keywords: crystal structure; lithium; zinc; heteroscorpionate complex; peptide de­formyl­ase (PDF) model.

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Structure factor file (CIF format) (345.8 kbytes)
[ doi:10.1107/S0108270113021148/yp3040compound1sup2.hkl ]
Contains datablock compound1

hkldisplay filedownload file

Structure factor file (CIF format) (336.0 kbytes)
[ doi:10.1107/S0108270113021148/yp3040compound2sup3.hkl ]
Contains datablock compound2


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