New monoclinic form of {O-Ethyl N-(4-nitro-phen-yl)thio-carbamato-?S}(tri-4-tolyl-phosphane-?P)gold(I): crystal structure and Hirshfeld surface analysis.

ABSTRACT: The title phosphanegold(I) thiol-ate compound, [Au(C₉H₉N₂O₃S)(C₂₁H₂₁P)], is a second monoclinic polymorph (space group P2₁/c) that complements a previously reported Cc polymorph [Broker & Tiekink (2008 ?). Acta Cryst. E64, m1582]. An SP donor set defines an approximately linear geometry about the gold atom in both forms. The key distinguishing feature between the present structure and the previously reported polymorph rests with the relative disposition of the thiol-ate ligand. In the title compound, the orientation is such to place the oxygen atom in close contact with the gold atom [Au?O = 2.915?(2)?Å], in contrast to the aryl ring in the original polymorph. In the crystal, linear supra-molecular chains along the a-axis direction mediated by C-H?? and nitro-O?? inter-actions are found. These pack with no directional inter-actions between them. The analysis of the Hirshfeld surfaces for both forms of [Au(C₉H₉N₃O₃S)(C₂₁H₂₁P)] indicates quite distinctive inter-action profiles relating to the differences in inter-molecular contacts found in their respective crystals.

SUBMITTER: Kuan FS 

PROVIDER: S-EPMC5730296 | biostudies-literature | 2017 Oct

REPOSITORIES: biostudies-literature