Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 9 (September 2013)


scorpionates



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.


hkldisplay filedownload file

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


Notes:

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

 bibliographic record in  format

  Find reference:   Volume   Page   
  Search:     From   to      Advanced search

Copyright © International Union of Crystallography
IUCr Webmaster