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Acta Cryst. (2008). E64, m743-m744 [ doi:10.1107/S1600536808011938 ]
Abstract: In the title compound, (C4H14N2)[Cu(C7H3NO4)2]·3H2O or (bdaH2)[Cu(pydc)2]·3H2O (where bda is butane-1,4-diamine and pydcH2 is pyridine-2,6-dicarboxylic acid), the CuII atom is coordinated by four O atoms [Cu-O = 2.0557 (16)-2.3194 (16) Å] and two N atoms [Cu-N = 1.9185 (18) and 1.9638 (18) Å] from two chelating rings of the pydc2- anions, which act as tridentate ligands. The geometry of the resulting CuN2O4 coordination can be described as distorted octahedral. The the two pydc2- fragments are almost perpendicular to one another [77.51 (11)°]. To balance the charges, two centrosymmetric protonated butane-1,4-diammonium, (bdaH2)2+ cations are present. In the crystal structure, extensive O-H
O, N-H
O and C-H
O hydrogen bonds [D
A = 2.720 (2)-3.446 (3) Å], ion pairing, C-O
[O
= 3.099 (2) Å] and
-
stacking interactions between the pydc2- rings [centroid-centroid distance = 3.5334 (15) Å] contribute to the formation of a three-dimensional supramolecular structure.
Online 30 April 2008
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