Crystal structure of 2-hydroxy-N-(2-hydroxyethyl)-N-{2-hydroxy-3-[(E)-N-hydroxyethanimidoyl]-5-methylbenzyl}-ethanaminium acetate monohydrate

Gary S. Nichol*, Jamie M. Frost, Sergio Sanz, Euan K. Brechin, W. T A Harrison

*Corresponding author for this work

Research output: Contribution to journalArticle

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Abstract

The structure of the title hydrated molecular salt, C14H23N2O4+·C2H3O2-·H2O, was determined as part of a wider study on the use of the molecule as a polydentate ligand in the synthesis of MnIII clusters with magnetic properties. The cation features intramolecular O - H⋯N and N - H⋯O hydrogen-bond interactions. The crystal structure features a range of intermolecular hydrogen-bonding interactions, principally O - H⋯O interactions between all three species in the asymmetric unit. An R42(8) graph-set hydrogen-bonding motif between the anion and water molecules serves as a unit which links to the cation via the diethanolamine group. Each O atom of the acetate anion accepts two hydrogen bonds.

Original languageEnglish
Pages (from-to)186-187
Number of pages2
JournalActa Crystallographica Section E: Structure Reports Online
Volume71
Issue number3
Early online date18 Feb 2015
DOIs
Publication statusPublished - 1 Mar 2015

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acetates
Hydrogen bonds
Acetates
Crystal structure
diethanolamine
crystal structure
hydrogen bonds
anions
Anions
Cations
cations
Negative ions
Positive ions
interactions
hydrogen
Molecules
molecules
magnetic properties
salts
Magnetic properties

Keywords

  • Crystal structure
  • Hydrate
  • Hydrogen bonding
  • Magnetism
  • Organic salt

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Materials Science(all)
  • Chemistry(all)

Cite this

Crystal structure of 2-hydroxy-N-(2-hydroxyethyl)-N-{2-hydroxy-3-[(E)-N-hydroxyethanimidoyl]-5-methylbenzyl}-ethanaminium acetate monohydrate. / Nichol, Gary S.; Frost, Jamie M.; Sanz, Sergio; Brechin, Euan K.; Harrison, W. T A.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 71, No. 3, 01.03.2015, p. 186-187.

Research output: Contribution to journalArticle

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abstract = "The structure of the title hydrated molecular salt, C14H23N2O4+·C2H3O2-·H2O, was determined as part of a wider study on the use of the molecule as a polydentate ligand in the synthesis of MnIII clusters with magnetic properties. The cation features intramolecular O - H⋯N and N - H⋯O hydrogen-bond interactions. The crystal structure features a range of intermolecular hydrogen-bonding interactions, principally O - H⋯O interactions between all three species in the asymmetric unit. An R42(8) graph-set hydrogen-bonding motif between the anion and water molecules serves as a unit which links to the cation via the diethanolamine group. Each O atom of the acetate anion accepts two hydrogen bonds.",
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T1 - Crystal structure of 2-hydroxy-N-(2-hydroxyethyl)-N-{2-hydroxy-3-[(E)-N-hydroxyethanimidoyl]-5-methylbenzyl}-ethanaminium acetate monohydrate

AU - Nichol, Gary S.

AU - Frost, Jamie M.

AU - Sanz, Sergio

AU - Brechin, Euan K.

AU - Harrison, W. T A

N1 - Acknowledgements We thank The University of Edinburgh for funding the diffractometer purchase.

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AB - The structure of the title hydrated molecular salt, C14H23N2O4+·C2H3O2-·H2O, was determined as part of a wider study on the use of the molecule as a polydentate ligand in the synthesis of MnIII clusters with magnetic properties. The cation features intramolecular O - H⋯N and N - H⋯O hydrogen-bond interactions. The crystal structure features a range of intermolecular hydrogen-bonding interactions, principally O - H⋯O interactions between all three species in the asymmetric unit. An R42(8) graph-set hydrogen-bonding motif between the anion and water molecules serves as a unit which links to the cation via the diethanolamine group. Each O atom of the acetate anion accepts two hydrogen bonds.

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