title: Heteroscorpionate complexes based on bis(3,5-di-tert-butylpyrazol-1-yl)dithioacetate.
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 κ(3)N,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 κ(3)N,N',S-coordination and resembles the active site of zinc-containing peptide deformylases (PDFs).
authors.affiliation: Department of Chemistry and Pharmacy, University of Erlangen-Nürnberg, Egerlandstrasse 1, D-91058 Erlangen, Germany.
authors.forename: Stefan
authors.initials: S
authors.lastname: Tampier
authors.forename: Nicolai
authors.initials: N
authors.lastname: Burzlaff
mesh_terms: D000085:Acetates / Q000737:chemistry*; D002712:Chlorides / Q000737:chemistry*; D056831:Coordination Complexes / Q000737:chemistry*; D018360:Crystallography, X-Ray; D008024:Ligands; D015394:Molecular Structure; D011720:Pyrazoles / Q000737:chemistry*; D015032:Zinc / Q000737:chemistry*; D017967:Zinc Compounds / Q000737:chemistry*
chemical_list: C587343:(bis(3,5-di-tert-butylpyrazol-1-yl)dithioacetato)chloridozinc(II); D000085:Acetates; D002712:Chlorides; D056831:Coordination Complexes; D008024:Ligands; D011720:Pyrazoles; D017967:Zinc Compounds; C587342:bis(3,5-di-tert-butylpyrazol-1-yl)dithioacetate; C016837:zinc chloride; D015032:Zinc
keywords: crystal structure; heteroscorpionate complex; lithium; peptide deformylase (PDF) model; zinc