Crystal Structure of the Radical-Cation Salt (o-Me2TTF)I3 with Close Intermolecular Sulfur Contacts.

Eric W. Reinheimer , Marc Fourmigué (1) , Kim R. Dunbar

1 ISCR - Institut des Sciences Chimiques de Rennes

The synthesis and crystal structure of the org. radical-cation salt (o-Me2TTF)I3 is described. The salt crystallizes in the monoclinic space group P2 1 /n with a = 10.927(2) Å, b = 11.904(2) Å, c = 12.660(2) Å, β = 115.174(5)°. The bond length of the central C=C bond in o-Me2TTF is 1.401(1) Å, indicating an approx. oxidn. state of +1 for the o-Me2TTF radical cation. Graphical Abstr. The X-ray crystallog. structure of the radical cation salt (o-Me2TTF)I3 has been detd. and its structural properties and synthetic prepn. are discussed.

Keywords: crystal structure dithiolylidenedimethyldithiole triiodide salt; electrochem redn dimer dithiolylidenedimethyldithiole triiodide salt; mol structure conformation dithiolylidenedimethyldithiole triiodide salt

Domains: Chemical Sciences; Organic chemistry

Eric W. Reinheimer, Marc Fourmigué, Kim R. Dunbar. Crystal Structure of the Radical-Cation Salt (o-Me2TTF)I3 with Close Intermolecular Sulfur Contacts.. Journal of Chemical Crystallography, 2009, 39, pp.735--739. ⟨10.1007/s10870-009-9520-5⟩. ⟨hal-01151565⟩