Crystal structure of pentacarbonyl(2,2-difluoropropanethioato-κS)manganese(I)

Abstract

The title compound, [Mn{SC(O)CF2CH3}(CO)5], has been isolated as a by-product during the reaction of K[Mn(CO)5] with CH3CF2COCl. It is built up from a difluoromethylpropanethioate bonded to an Mn(CO)5 moiety through the S atom. The Mn atom has an almost perfect octahedral coordination sphere. It is one of the rare examples of compounds containing the (CO)5MnS—C fragment. In the crystal, the methyl group occupies a pocket surrounded by the O atoms of three carbonyl groups of the Mn(CO)5 moiety; however, the H...O distances are rather long. These interactions lead to the formation of layers lying parallel to (101), which enclose R44(15) and R44(16) ring motifs. The CF2 group is disordered over two sets of sites with occupancies of 0.849 (3) and 0.151 (3).

Keywords

• crystal structure
• Mn(CO)5 derivatives
• Mn-S bond
• intermolecular contacts