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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.

SUBMITTER: Nichol GS

PROVIDER: S-EPMC4350734 | biostudies-literature | 2015 Mar

REPOSITORIES: biostudies-literature

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

Nichol Gary S GS Frost Jamie M JM Sanz Sergio S Brechin Euan K EK

Acta crystallographica. Section E, Crystallographic communications 20150218 Pt 3

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) ...[more]

PMID: 25844240

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