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A new potential NLO compound with a supramolecular layered structure: aqua(hexamethylenetetramine‐κN)(iminodiacetato‐κ3O,N,O′)copper(II)

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Abstract:

In the noncentrosymmetric title compound, [Cu(C4H5NO4)(C6H12N4)(H2O)] or [Cu(IDA)(HMTA)(H2O)], where IDA is iminodiacetate and HMTA is hexamethylenetetramine, the asymmetric unit consists of a whole mononuclear neutral molecule, where the CuII cation is coordinated by two carboxylate O atoms and one N atom from the IDA ligand, by one N atom from the HMTA ligand and by the O atom of the coordinated water molecule, giving rise to a CuN2O3 distorted square‐pyramidal coordination geometry. The IDA and HTMA ligands adopt terminal tri‐ and monocoordinated modes, respectively. All adjacent molecules within the ac plane are connected to each other via two pairs of O—H...O and one N—H...O hydrogen bond, forming a (4,4) supramolecular two‐dimensional network. In the unit cell, these layers stack alternately in an …ABABAB… sequence along the b axis. The optical absorption properties of this compound have been studied on powder samples, which had previously been examined by powder X‐ray diffraction.

Document Type: Research Article

DOI: http://dx.doi.org/10.1107/S0108270112028442

Publication date: August 15, 2012

bsc/ayc/2012/00000068/00000008/art00004
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