New monoclinic form of {O-Ethyl N-(4-nitrophenyl)thiocarbamato-κS}(tri-4-tolylphosphane-κP)gold(I): crystal structure and Hirshfeld surface analysis
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چکیده
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⋯π and nitro-O⋯π 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.
منابع مشابه
[(Z)-O-Ethyl N-(4-nitrophenyl)thiocarbamato-κS](triphenylphosphine-κP)gold(I) dichloromethane solvate
An S,P-donor set in the title solvate, [Au(C(9)H(9)N(2)O(3)S)(C(18)H(15)P)]·CH(2)Cl(2), defines a linear geometry for the Au(I) atom [S-Au-P = 177.75 (7)°], with the minor distortion ascribed to the influence of an intra-molecular Au⋯O contact [3.019 (6) Å]. In the crystal, the packing is stabilized by a network of C-H⋯S, C-H⋯N and C-H⋯O contacts.
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A nearly linear coordination geometry for Au is found in the title compound, [Au(C(9)H(9)N(2)O(3)S)(C(21)H(21)P)]. The thio-carbamate ligand is orientated so that the aryl group is in close proximity to the Au atom, consistent with an Au⋯π contact [Au⋯Cg = 3.351 (5) Å; Cg is the centroid of the aromatic ring].
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