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The structure of m-xylylenediguanidinium sulfate: a putative molecular tweezer ligand for anion chelation

The structure of m-xylylenediguanidinium sulfate: a putative molecular tweezer ligand for anion chelation
The structure of m-xylylenediguanidinium sulfate: a putative molecular tweezer ligand for anion chelation
While solution H-1 and C-13 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 C-13 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.
bis(alkylguanidinium) receptors, bis(guanidinium), acceleration, diester
1528-7483
339-342
Hutchings, Michael G.
3c33bca1-c57d-4a58-a2af-a9e7fbff8f19
Grossel, Martin C.
403bf3ff-6364-44e9-ab46-52d84c6f0d56
Merckel, Daniel A.S.
3ba91499-9f0c-453f-a443-72f7ae8ad701
Chippendale, A. Margaret
374640de-6b83-4502-8f7a-4b28787d25fd
Kenworthy, Mark
5655b3a3-552f-4f55-8f2b-b1d70e334787
McGeorge, Gary
8364440e-d9e9-44bd-9d62-2e8e3f57ff92
Hutchings, Michael G.
3c33bca1-c57d-4a58-a2af-a9e7fbff8f19
Grossel, Martin C.
403bf3ff-6364-44e9-ab46-52d84c6f0d56
Merckel, Daniel A.S.
3ba91499-9f0c-453f-a443-72f7ae8ad701
Chippendale, A. Margaret
374640de-6b83-4502-8f7a-4b28787d25fd
Kenworthy, Mark
5655b3a3-552f-4f55-8f2b-b1d70e334787
McGeorge, Gary
8364440e-d9e9-44bd-9d62-2e8e3f57ff92

Hutchings, Michael G., Grossel, Martin C., Merckel, Daniel A.S., Chippendale, A. Margaret, Kenworthy, Mark and McGeorge, Gary (2001) The structure of m-xylylenediguanidinium sulfate: a putative molecular tweezer ligand for anion chelation. Crystal Growth & Design, 1 (4), 339-342. (doi:10.1021/cg0155144).

Record type: Article

Abstract

While solution H-1 and C-13 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 C-13 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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More information

Published date: 2001
Keywords: bis(alkylguanidinium) receptors, bis(guanidinium), acceleration, diester

Identifiers

Local EPrints ID: 19527
URI: http://eprints.soton.ac.uk/id/eprint/19527
ISSN: 1528-7483
PURE UUID: 835588ce-1405-42f7-a4fa-cadc7bd77f01
ORCID for Martin C. Grossel: ORCID iD orcid.org/0000-0001-7469-6854

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Date deposited: 15 Feb 2006
Last modified: 17 Dec 2019 02:00

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Contributors

Author: Michael G. Hutchings
Author: Daniel A.S. Merckel
Author: A. Margaret Chippendale
Author: Mark Kenworthy
Author: Gary McGeorge

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