2,3-[(3,6-Dioxaoctane-1,8-diyl)bis(sulfanediylmethylene)]-6,7-bis(methyl sulfanyl)-1,4,5,8-tetrathiafulvalene

Acta Crystallographica Section E Structure Reports Online (Impact Factor: 0.35). 11/2009; 65(Pt 11):o2783. DOI: 10.1107/S1600536809041804
Source: PubMed


In the title mol-ecule, C(16)H(22)S(8)O(2), two S atoms, two O atoms and ten C atoms form a 14-membered ring with a boat conformation. In the crystal, C-H⋯O hydrogen bonds link the mol-ecules into dimers which are further connected into a chain along the a axis by C-H⋯S hydrogen bonds.

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    ABSTRACT: The title compound was prepared via a cross-coupling reaction and its crystal structure has been determined. It crystallized in the triclinic space group P-1 with cell parameters: a = 8.552(2) Å, b = 11.310(2) Å, c = 16.150(3) Å, α = 109.55(3)°, β = 91.45(3)°, γ = 91.28(3)°, V = 1470.6(5) Å3, Z = 2 at 296 K. There is one molecule in the asymmetric unit. In the crystal structure, the neighboring molecules from dimers by weak intermolecular π···π interactions between the pyrrole and tetrathiafulvalene units. The dimers are further linked through C-H···π interactions to generate one-dimensional chains along the [100] direction. The arrangement of the molecules corresponds to an overlap between the HOMO and LUMO.
    Molecules 12/2014; 19(12):20314-20324. DOI:10.3390/molecules191220314 · 2.42 Impact Factor


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