Crystal structure of ethylenedioxytetrathiafulvalene-4,5-bis(thiolbenzoic acid) 0.25-hydrate
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چکیده
In the title compound (systematic name: 4,4'-{[2-(5,6-di-hydro-[1,3]di-thiolo[4,5-b][1,4]dioxin-2-yl-idene)-1,3-di-thiole-4,5-di-yl]bis-(sulfanedi-yl)}di-benzoic acid 0.25-hydrate), C22H14O6S6·0.25H2O, the tetra-thia-fulvalene (TTF) core adopts a boat conformation, where the central S2C=CS2 plane makes dihedral angles of 31.34 (4) and 26.83 (6)°, respectively, with the peripheral S2C=CS2 and S2C2O2 planes. In the crystal, the benzoic acid mol-ecules are linked via O-H⋯O hydrogen bonds, forming inversion dimers with R22(8) motifs. The dimers are linked through weak C-H⋯O hydrogen bonds into a chain structure along [-101]. The chains stack along the a axis through S⋯S and S⋯C short contacts, forming layers parallel to the ac plane.
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