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

Jean-Claude Daran (1) , Roberto Morales-Cerrada (1, 2) , Christophe Fliedel (1) , Florence Gayet (1) , Vincent Ladmiral (2) , Bruno Ameduri (2) , Rinaldo Poli (1)

1 LCC - Laboratoire de chimie de coordination
2 ICGM - Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier

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).

Mots clés: Mn(CO)5 derivatives; Mn-S bond; intermolecular contacts; crystal structure; Mn(CO) 5 deriva- tives

Domaines: Polymères

Jean-Claude Daran, Roberto Morales-Cerrada, Christophe Fliedel, Florence Gayet, Vincent Ladmiral, et al.. Crystal structure of pentacarbonyl(2,2-difluoropropanethioato-κ S )manganese(I). Acta crystallographica Section E : Crystallographic communications [2015-..], 2019, 75 (5), pp.529-532. ⟨10.1107/S2056989019004134⟩. ⟨hal-02088757⟩