title: Noncovalent interactions determine the conformation of aurophilic complexes with 2-mercapto-4-methyl-5-thiazoleacetic acid ligands.
abstract: We report the synthesis of three gold(i) complexes [Au(H(2)-mmta)(2)]Cl·(3)H(2)O (1), Na(3)[Au(mmta)(2)]·6H(2)O (2) and Na(3)[Au(mmta)(2)]·10.5H(2)O (3) (H(2)-mmta = 2-mercapto-4-methyl-5-thiazoleacetic acid) in which the Au(i) centre is incorporated either in cationic or anionic units of the [Au(SR)(2)](+/-) type depending on the protonation state of the ligand. All structures were characterized by single crystal X-ray analysis and found to exhibit unsupported aurophilic interactions leading to the formation of dimeric [Au(2)(H(2)-mmta)(4)](2+) and [Au(2)(mmta)(4)](6-) species. By applying several ab initio interpretative techniques we examine the character of the intermolecular interactions stabilizing the eclipsed arrangement of the aurophilic dimers formed in 1-3.
authors.affiliation: Faculty of Chemistry, University of Warsaw, 02-093 Warsaw, Pasteura 1, Poland. hapka@tiger.chem.uw.edu.pl.
authors.forename: Michał
authors.initials: M
authors.lastname: Hapka
authors.forename: Maciej
authors.initials: M
authors.lastname: Dranka
authors.forename: Katarzyna
authors.initials: K
authors.lastname: Orłowska
authors.forename: Grzegorz
authors.initials: G
authors.lastname: Chałasiński
authors.forename: Małgorzata M
authors.initials: MM
authors.lastname: Szczęśniak
authors.forename: Janusz
authors.initials: J
authors.lastname: Zachara
mesh_terms: D018360:Crystallography, X-Ray; D019281:Dimerization; D008024:Ligands; D008958:Models, Molecular; D008968:Molecular Conformation; D050607:Organogold Compounds / Q000138:chemical synthesis / Q000737:chemistry*; D013438:Sulfhydryl Compounds / Q000138:chemical synthesis / Q000737:chemistry*; D013844:Thiazoles / Q000138:chemical synthesis / Q000737:chemistry*
chemical_list: C550084:2-mercapto-4-methyl-5-thiazoleacetic acid; D008024:Ligands; D050607:Organogold Compounds; D013438:Sulfhydryl Compounds; D013844:Thiazoles