Folded and open structures of a new bis-TTF derivative, as viewed from inter- and intra-molecular interactions

A dimeric TTF derivative of bis{2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-4-(methylsulfanyl)-5-(methylenesulfanyl)-1,3-dithiole} (1) was synthesized and characterized. The sulfur atom of a methylthio group interacts with C=C double bond of the neighboring TTF moiety exhibiting a S-pi interactions within a molecular chain. The molecules are further assembled to a 2D structure by an (SS)-S-... interaction (3.3441(17) Angstrom). Open and folded model for the molecular conformation is discussed based on the results measured in the solid state (crystal structure) and in solution (cyclic voltammogram). (C) 2004 Elsevier B.V. All rights reserved.