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

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 t...

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Bibliographic Details
Published in:	Crystal growth & design Vol. 1; no. 4; pp. 339 - 342
Main Authors:	Hutchings, Michael G, Grossel, Martin C, Merckel, Daniel A. S, Chippendale, A. Margaret, Kenworthy, Mark, McGeorge, Gary
Format:	Journal Article
Language:	English
Published:	American Chemical Society 01-07-2001
Online Access:	Get full text
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Summary:	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.
ISSN:	1528-7483 1528-7505
DOI:	10.1021/cg0155144