Monocationic gold(iii) Gly-l-His and l-Ala-l-His dipeptide complexes: crystal structures arising from solvent free and solvent-containing crystal formation and structural modifications tuned by counter-anionsElectronic supplementary information (ESI) available: Selected bond distances and angles, hydrogen bond parameters and crystal packing diagrams. CCDC reference numbers 770509-770511. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c0dt00163e

• Main Authors: Rychlewska, Urszula, War ajtis, Beata, Gliši, Biljana, ivkovi, Marija D, Rajkovi, Sne ana, Djuran, Miloš I
• Format: Article
• Language: English
• ISSN: 1477-9226; 1477-9234
• DOI: 10.1039/c0dt00163e

Monocationic gold( iii ) complexes with histidine-containing peptides, glycyl- L -histidine (Gly- l -His) and l -alanyl- l -histidine ( l -Ala- l -His) have been synthesized and characterized by 1 H NMR spectroscopy and X-ray crystallography. The crystallized Au( iii ) complexes, [Au(Gly- l -His- N , N ′, N ′′)Cl]NO 3 ·1.25H 2 O and [Au( l -Ala- l -His- N , N ′, N ′′)Cl]NO 3 ·2.5H 2 O, were obtained from water solution at pH < 1.0. The chemical shifts in the 1 H NMR spectra of [Au(Gly- l -His- N , N ′, N ′′)Cl]NO 3 ·1.25H 2 O and [Au( l -Ala- l -His- N , N ′, N ′′)Cl]NO 3 ·2.5H 2 O complexes were compared with those for the corresponding Pd( ii ) complexes and for Pd( ii ) and Au( iii ) complexes with Gly-Gly- l -His tripeptide. Crystal data for the hydrated [Au(Gly- l -His- N , N ′, N ′′)Cl]NO 3 ·1.25H 2 O complex and its serendipitously obtained unhydrated form were compared with previously reported X-ray data for the hydrated chloride complex [Au(Gly- l -His- N , N ′, N ′′)Cl]Cl·3H 2 O and with the analogous, though uncharged, Pd( ii ) and Pt( ii ) complexes. Furthermore, in the present study the crystal structure of the nitrate salt of Au( iii ) complex with l -Ala- l -His dipeptide, [Au( l -Ala- l -His- N , N ′, N ′′)Cl]NO 3 ·2.5H 2 O has been determined. Monocationic gold( iii ) complexes with glycyl- l -histidine and l -alanyl- l -histidine dipeptides have been synthesized and characterized by 1 H NMR spectroscopy and X-ray crystallography.