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Crystal structure of ethylenedioxytetrathiafulvalene-4,5-bis(thiolbenzoic acid) 0.25-hydrate
In the title compound (systematic name: 4,4′-{[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dioxin-2-ylidene)-1,3-dithiole-4,5-diyl]bis(sulfanediyl)}dibenzoic acid 0.25-hydrate), C(22)H(14)O(6)S(6)·0.25H(2)O, the tetrathiafulvalene (TTF) core adopts a boat conformation, where the central S(2)C=...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5588559/ https://www.ncbi.nlm.nih.gov/pubmed/28932453 http://dx.doi.org/10.1107/S2056989017011070 |
Sumario: | In the title compound (systematic name: 4,4′-{[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dioxin-2-ylidene)-1,3-dithiole-4,5-diyl]bis(sulfanediyl)}dibenzoic acid 0.25-hydrate), C(22)H(14)O(6)S(6)·0.25H(2)O, the tetrathiafulvalene (TTF) core adopts a boat conformation, where the central S(2)C=CS(2) plane makes dihedral angles of 31.34 (4) and 26.83 (6)°, respectively, with the peripheral S(2)C=CS(2) and S(2)C(2)O(2) planes. In the crystal, the benzoic acid molecules are linked via O—H⋯O hydrogen bonds, forming inversion dimers with R (2) (2)(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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