The structure of N,N'-bis(2-hydroxyethyl)ethane-1,2-diamine and its complexes with Zn(II) and Cd(II)

Dalton Transactions : an International Journal of Inorganic Chemistry
Alvaro S de SousaHelder M Marques

Abstract

The crystal structure of the nitrate salt of N,N'-bis(2-hydroxyethyl)-ethane-1,2-diamine (BHEEN), and its complex with Zn(II) and Cd(II) are reported. (H(2)BHEEN)(NO(3))(2) packs in a layered structure with a herringbone pattern within each layer arising from H-bonding between amino and alcohol protons and NO(3)(-) counterions. In [Zn(BHEEN)(2)]Cl(2), each ligand coordinates to Zn(II) through its two N-donors producing a distorted tetrahedral geometry at the metal centre. The two hydroxyethyl arms of each ligand are trans to each other and the crystals obtained contained a racemic mixture of the bis-trans-R,R and the bis-trans-S,S isomers. All four hydroxyl groups are H-bonded to chloride counter ions, creating a layered structure. Whilst distant from the metal ion (average 3.00 A), the four O atoms of the pendent hydroxylamino groups appear positioned to interact with the metal. The orientation of the arms is preserved in a B3LYP gas phase calculation of the structure. An analysis using Bader's Atoms in Molecules indicates that the Zn-N bonds are predominantly ionic with some covalent character and that there is a weak interaction between the metal and the hydroxyl groups. Several other weak interactions including four O...HN,...Continue Reading

References

May 20, 1994·Journal of Molecular Biology·I K McDonald, J M Thornton
Oct 16, 2001·Inorganic Chemistry·R F Bader, C F Matta
May 31, 2002·Acta Crystallographica. Section B, Structural Science·Frank H Allen
May 13, 2003·Chemistry : a European Journal·Chérif F MattaRichard F W Bader
Feb 4, 2006·Acta Crystallographica. Section C, Crystal Structure Communications·Mei-Ling ChengJian-Ping Lang
Jan 11, 2007·The Journal of Chemical Physics·Kasper P JensenUlf Ryde
Nov 21, 2007·Chemical Communications : Chem Comm·Rashmi BagaiGeorge Christou
Oct 1, 2008·The Journal of Physical Chemistry. a·Pradeep R VaradwajHelder M Marques

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