The dithiolene ligand and tetrathiafulvalene precursor molecules 4,5‐bis(bromomethyl)‐1,3‐dithiol‐2‐one and 4,5‐bis[(dihydroxyphosphoryl)methyl]‐1,3‐dithiol‐2‐one |
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Authors: | Kuppuswamy Arumugam Daniel Seth Clark Joel T. Mague James P. Donahue |
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Abstract: | The crystal structures of 4,5‐bis(bromomethyl)‐1,3‐dithiol‐2‐one, C5H4Br2OS2, (I), and 4,5‐bis[(dihydroxyphosphoryl)methyl]‐1,3‐dithiol‐2‐one, C5H8O7P2S2, (II), occur with similar unit cells in the same monoclinic space group. Both molecules reside on a twofold symmetry axis coincident with the C=O bond, so that the substituents in the 4‐ and 5‐positions project above and below the plane of the 1,3‐dithiol‐2‐one ring. In both structures, the molecules align themselves in a head‐to‐tail fashion along the b axis, and these rows of molecules then stack, with alternating directionality, along the c axis. For (II), an extensive network of intermolecular hydrogen bonds occurs between molecules within the same stack and between adjacent stacks. Each –CH2P(O)(OH)2 group participates in four hydrogen bonds, twice as donor and twice as acceptor. |
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