title: 3,4-[2,2-Bis(methoxyethoxymethoxymethyl)propylenedithio]-3',4'-(ethylenedithio)tetrathiafulvalene: a spiro-substituted BEDT-TTF analogue.
abstract: The crystal structure of the title compound [systematic name: 2-(1,3-dithiolo[4,5-b][1,4]dithiin-2-ylidene)-6,6-bis(methoxyethoxymethoxymethyl)-1,3-dithiolo[4,5-b][1,4]dithiepine], C(21)H(30)O(6)S(8), a spiro-substituted BEDT-TTF analogue [BEDT-TTF is bis(ethylenedithio)tetrathiafulvalene], has a strongly bent heterocyclic framework. The seven-membered ring adopts a pseudo-chair conformation with notably widened ring bond angles, especially at the methylene C atoms [119.49 (11) and 117.60 (11) degrees]. The axial side chain adopts an extended conformation, but the equatorial side chain curls back on itself and the O atom nearest the ring system is involved in three short contacts to H atoms (2.45-2.53 A). The molecules pack in centrosymmetrically related pairs, which are isolated from each other by columns of the polyether side chains. This study emphasizes the ease of distortion of the neutral bis(propylenedithio)tetrathiafulvalene ring structure, and how the need to accommodate side chains can easily override the tendency of these donor systems to form stacks in the crystalline state.
authors.affiliation: School of Science and Technology, Nottingham Trent University, Clifton Lane, Nottingham NG11 8NS, England.
authors.forename: Andrew C
authors.initials: AC
authors.lastname: Brooks
authors.forename: Peter
authors.initials: P
authors.lastname: Day
authors.forename: John D
authors.initials: JD
authors.lastname: Wallis