title: Crystal structure of 2-hydroxy-N-(2-hydroxyethyl)-N-{2-hydroxy-3-[(E)-N-hydroxyethanimidoyl]-5-methylbenzyl}ethanaminium acetate monohydrate.
abstract: The structure of the title hydrated mol-ecular salt, C14H23N2O4 (+)·C2H3O2 (-)·H2O, was determined as part of a wider study on the use of the mol-ecule as a polydentate ligand in the synthesis of Mn(III) clusters with magnetic properties. The cation features intra-molecular O-H⋯N and N-H⋯O hydrogen-bond inter-actions. The crystal structure features a range of inter-molecular hydrogen-bonding inter-actions, principally O-H⋯O inter-actions between all three species in the asymmetric unit. An R (2) 4(8) graph-set hydrogen-bonding motif between the anion and water mol-ecules serves as a unit which links to the cation via the di-ethano-lamine group. Each O atom of the acetate anion accepts two hydrogen bonds.
authors.affiliation: School of Chemistry, The University of Edinburgh, Joseph Black Building, David Brewster Road, Edinburgh EH9 3FJ, Scotland.
authors.forename: Gary S
authors.initials: GS
authors.lastname: Nichol
authors.affiliation: School of Chemistry, The University of Edinburgh, Joseph Black Building, David Brewster Road, Edinburgh EH9 3FJ, Scotland.
authors.forename: Jamie M
authors.initials: JM
authors.lastname: Frost
authors.affiliation: School of Chemistry, The University of Edinburgh, Joseph Black Building, David Brewster Road, Edinburgh EH9 3FJ, Scotland.
authors.forename: Sergio
authors.initials: S
authors.lastname: Sanz
authors.affiliation: School of Chemistry, The University of Edinburgh, Joseph Black Building, David Brewster Road, Edinburgh EH9 3FJ, Scotland.
authors.forename: Euan K
authors.initials: EK
authors.lastname: Brechin
keywords: crystal structure; hydrate; hydrogen bonding; magnetism; organic salt
references.citation: Chem Commun (Camb). 2014 Mar 28;50(25):3310-2
references.pmid: 24531523
references.citation: Dalton Trans. 2008 Nov 7;(41):5537-55
references.pmid: 18854889
references.citation: Dalton Trans. 2009 May 21;(19):3646-9
references.pmid: 19417924
references.citation: Dalton Trans. 2014 Jul 28;43(28):10690-4
references.pmid: 24875676
references.citation: J Am Chem Soc. 2007 Mar 14;129(10):2754-5
references.pmid: 17309264
references.citation: Chem Commun (Camb). 2012 Jan 7;48(2):181-90
references.pmid: 21892459
references.citation: Dalton Trans. 2007 Sep 21;(35):3861-3
references.pmid: 17893781
references.citation: Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22
references.pmid: 18156677
references.citation: Chemistry. 2014 Mar 10;20(11):3010-3
references.pmid: 24470126