Ethylenediaminium pyridine-2,5-dicarboxylate dihydrate

Graham Smith, Urs D. Wermuth, David J. Young, Peter C. Healy

Research output: Contribution to journalArticleResearchpeer-review

Abstract

The title compound, C2H10N22+·C7H3NO42-·2H2O, forms a three-dimensional hydrogen-bonded framework structure in which both of the amine groups of ethylenediamine are protonated and participate in a total of six hydrogen-bonding interactions with carboxylate O-atom acceptors of the anions as well as the water molecules. The cations lie on crystal-lographic inversion centres and adopt extended conformations, while the anions have twofold rotational symmetry. This results in the pyridine N atom and its ortho-related CH group being disordered over two 50% occupancy sites.

Original languageEnglish
Pages (from-to)o3124-o3126
Number of pages3
JournalActa Crystallographica Section E: Structure Reports Online
VolumeE62
Issue numberPart 7
DOIs
Publication statusPublished - 1 Jul 2006
Externally publishedYes

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ethylenediamine
Pyridine
Anions
pyridines
Negative ions
anions
Atoms
hydrogen
carboxylates
Amines
atoms
Conformations
Cations
Hydrogen
Hydrogen bonds
amines
Positive ions
methylidyne
inversions
cations

Cite this

Smith, Graham ; Wermuth, Urs D. ; Young, David J. ; Healy, Peter C. / Ethylenediaminium pyridine-2,5-dicarboxylate dihydrate. In: Acta Crystallographica Section E: Structure Reports Online. 2006 ; Vol. E62, No. Part 7. pp. o3124-o3126.
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Ethylenediaminium pyridine-2,5-dicarboxylate dihydrate. / Smith, Graham; Wermuth, Urs D.; Young, David J.; Healy, Peter C.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. E62, No. Part 7, 01.07.2006, p. o3124-o3126.

Research output: Contribution to journalArticleResearchpeer-review

TY - JOUR

T1 - Ethylenediaminium pyridine-2,5-dicarboxylate dihydrate

AU - Smith, Graham

AU - Wermuth, Urs D.

AU - Young, David J.

AU - Healy, Peter C.

PY - 2006/7/1

Y1 - 2006/7/1

N2 - The title compound, C2H10N22+·C7H3NO42-·2H2O, forms a three-dimensional hydrogen-bonded framework structure in which both of the amine groups of ethylenediamine are protonated and participate in a total of six hydrogen-bonding interactions with carboxylate O-atom acceptors of the anions as well as the water molecules. The cations lie on crystal-lographic inversion centres and adopt extended conformations, while the anions have twofold rotational symmetry. This results in the pyridine N atom and its ortho-related CH group being disordered over two 50% occupancy sites.

AB - The title compound, C2H10N22+·C7H3NO42-·2H2O, forms a three-dimensional hydrogen-bonded framework structure in which both of the amine groups of ethylenediamine are protonated and participate in a total of six hydrogen-bonding interactions with carboxylate O-atom acceptors of the anions as well as the water molecules. The cations lie on crystal-lographic inversion centres and adopt extended conformations, while the anions have twofold rotational symmetry. This results in the pyridine N atom and its ortho-related CH group being disordered over two 50% occupancy sites.

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