[(Z)-N-(3-Fluoro­phen­yl)-O-methyl­thio­carbamato-κS](tri­phenyl­phosphane-κP)gold(I): crystal structure, Hirshfeld surface analysis and computational study

The title phosphanegold(I) thiol­ate, C26H22AuFNOPS or [Au(C8H7FNOS)(C18H15P)], has the AuI centre coordinated by phosphane-P [2.2494 (8) Å] and thiol­ate-S [2.3007 (8) Å] atoms to define a close to linear geometry [P—Au—S = 176.10 (3)°]. The thiol­ate ligand is orientated so that the meth­oxy-O atom is directed towards the Au atom, forming an Au⋯O close contact of 2.986 (2) Å. In the crystal, a variety of inter­molecular contacts are discerned with fluoro­benzene-C—H⋯O(meth­oxy) and phenyl-C—H⋯F inter­actions leading to dimeric aggregates. These are assembled into a three-dimensional architecture by phenyl-C—H⋯S(thiol­ate) and phenyl-C—H⋯π(fluorobenzene, phen­yl) inter­actions. Accordingly, the analysis of the calculated Hirshfeld surface shows 30.8% of all contacts are of the type C⋯H/H⋯C but this is less than the H⋯H contacts, at 44.9%. Other significant contributions to the surface come from H⋯F/F⋯H [8.1%], H⋯S/S⋯H [6.9%] and H⋯O/O⋯H [3.2%] contacts. Two major stabilization energies have contributions from the phenyl-C—H⋯π(fluoro­benzene) and fluoro­benzene-C—H⋯C(imine) inter­actions (−37.2 kcal mol−1), and from the fluoro­benzene-C—H⋯F and phenyl-C—H⋯O inter­actions (−34.9 kcal mol−1), the latter leading to the dimeric aggregate.