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A trinuclear palladium(II) complex containing N , S ‐coordinating 2‐(benzylsulfanyl)anilinide and 1,3‐benzothiazole‐2‐thiolate ligands with a central square‐planar PdN 4 motif
Author(s) -
Cross Edward D.,
MacDonald Kristen L.,
McDonald Robert,
Bierenstiel Matthias
Publication year - 2014
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.304
H-Index - 17
ISSN - 2053-2296
DOI - 10.1107/s2053229613032828
Subject(s) - benzothiazole , palladium , chemistry , ligand (biochemistry) , dimethylformamide , crystallography , aniline , stereochemistry , molecule , coordination geometry , medicinal chemistry , catalysis , organic chemistry , receptor , biochemistry , hydrogen bond , solvent
The reaction of dichlorido(cod)palladium(II) (cod = 1,5‐cyclooctadiene) with 2‐(benzylsulfanyl)aniline followed by heating in N , N ‐dimethylformamide (DMF) produces the linear trinuclear Pd 3 complex bis(μ 2 ‐1,3‐benzothiazole‐2‐thiolato)bis[μ 2 ‐2‐(benzylsulfanyl)anilinido]dichloridotripalladium(II) N , N ‐dimethylformamide disolvate, [Pd 3 (C 7 H 4 NS 2 ) 2 (C 13 H 12 NS) 2 Cl 2 ]·2C 3 H 7 NO. The molecule has symmetry and a Pd...Pd separation of 3.2012 (4) Å. The outer Pd II atoms have a square‐planar geometry formed by an N , S ‐chelating 2‐(benzylsulfanyl)anilinide ligand, a chloride ligand and the thiolate S atom of a bridging 1,3‐benzothiazole‐2‐thiolate ligand, while the central Pd II core shows an all N ‐coordinated square‐planar geometry. The geometry is perfectly planar within the PdN 4 core and the N—Pd—N bond angles differ significantly [84.72 (15)° for the N atoms of ligands coordinated to the same outer Pd atom and 95.28 (15)° for the N atoms of ligands coordinated to different outer Pd atoms]. This trinuclear Pd 3 complex is the first example of one in which 1,3‐benzothiazole‐2‐thiolate ligands are only N ‐coordinated to one Pd centre. The 1,3‐benzothiazole‐2‐thiolate ligands were formed in situ from 2‐(benzylsulfanyl)aniline.