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The Structure of m-Xylylenediguanidinium Sulfate:  A Putative Molecular Tweezer Ligand for Anion Chelation

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posted on 2001-06-19, 00:00 authored by Michael G. Hutchings, Martin C. Grossel, Daniel A. S. Merckel, A. Margaret Chippendale, Mark Kenworthy, Gary McGeorge
While solution 1H and 13C NMR spectra of the sulfate salt of m-xylylenediguanidinium dication 2 indicate a symmetrical conformation for the cation, a single-crystal X-ray structural determination of 2 reveals that this dication does not offer symmetrical tweezer-like coordination toward sulfate in the solid state (consistent with solid phase 13C NMR spectra) but rather assembles into a complex three-dimensional H-bonded network in which the two guanidinium arms adopt different conformations, and all guanidinium N−H units plus one C−H unit of each CH2 group are involved in H-bonds to sulfate.

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