Crystal structure of ethyl-ene-dioxy-tetra-thia-fulvalene-4,5-bis-(thiol-benzoic acid) 0.25-hydrate.

ABSTRACT: 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 [-10

SUBMITTER: Zhang Y 

PROVIDER: S-EPMC5588559 | biostudies-literature | 2017 Sep

REPOSITORIES: biostudies-literature