Title of article :
A monoclinic polymorph of [(Z)-N-(3-chlorophenyl)-O-methylthiocarbamato-κS](triphenylphosphane-κP)gold(I): crystal structure and Hirshfeld surface analysis
Author/Authors :
Yeo, Chien Ing Research Centre for Crystalline Materials - Faculty of Science and Technology - Sunway University, Malaysia , Tan, Sang Loon Research Centre for Crystalline Materials - Faculty of Science and Technology - Sunway University, Malaysia , Tiekink, Edward R. T. Research Centre for Crystalline Materials - Faculty of Science and Technology - Sunway University, Malaysia
Abstract :
The title compound, [Au(C8H7ClNOS)(C18H15P)], is a monoclinic (P21/n, Z′ = 1; form β) polymorph of the previously reported triclinic form (P-1, Z′ = 1; form α) [Tadbuppa & Tiekink (2010[Tadbuppa, P. P. & Tiekink, E. R. T. (2010). Acta Cryst. E66, m664.]). Acta Cryst. E66, m664]. The molecular structures of both forms feature an almost linear gold(I) coordination geometry [P—Au—S = 175.62 (5)° in the title polymorph], being coordinated by thiolate S and phosphane P atoms, a Z conformation about the C=N bond and an intramolecular Au⋯O contact. The major conformational difference relates to the relative orientations of the residues about the Au—S bond: the P—Au—S—C torsion angles are −8.4 (7) and 106.2 (7)° in forms α and β, respectively. The molecular packing of form β features centrosymmetric aggregates sustained by aryl-C—H⋯O interactions, which are connected into a three-dimensional network by aryl-C—H⋯π contacts. The Hirshfeld analysis of forms α and β shows many similarities with the notable exception of the influence of C—H⋯O interactions in form β.
Keywords :
crystal structure , Hirshfeld surface analysis , thiocarbamate , gold , polymorph
Journal title :
Acta Crystallographica Section E: Crystallographic Communications