Crystal structure analysis shows that (theobromine)2.H2I8 is a polyiodide salt composed of alternating cationic and anionic layers; the former consist of hydrogen-bonded protonated theobromine species and the latter of I164– polyiodide ions.
F. H. Herbstein and M. Kapon, J. Chem. Soc., Chem. Commun., 1975, 677 DOI: 10.1039/C39750000677
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