Diaqua(triethanolamine)copper(II) sulfate monohydrate

The asymmetric unit of the title compound, [Cu(C6H15NO3)(H2O)2]SO4·H2O, contains a complex cation, a sulfate anion and one uncoordinated water molecule. In the complex cation, the CuII ion is coordinated by five O atoms (three of which are from the triethanolamine ligand and two from coordinated water molecules) and one N atom of the triethanolamine ligand in a typical Jahn–Teller-distorted octahedral geometry. Classical intermolecular O—H⋯O hydrogen bonds link the cation, the sulfate anion and the water molecule into a two-dimensional network.

The asymmetric unit of the title compound, [Cu(C 6 H 15 NO 3 )-(H 2 O) 2 ]SO 4 ÁH 2 O, contains a complex cation, a sulfate anion and one uncoordinated water molecule. In the complex cation, the Cu II ion is coordinated by five O atoms (three of which are from the triethanolamine ligand and two from coordinated water molecules) and one N atom of the triethanolamine ligand in a typical Jahn-Teller-distorted octahedral geometry. Classical intermolecular O-HÁ Á ÁO hydrogen bonds link the cation, the sulfate anion and the water molecule into a twodimensional network.

Comment
Many workers from a variety of scientific disciplines are interested in the crystal design and engineering of multidimensional arrays and networks containing metal ions as nodes. Metal-ion-containing supramolecular structures can be used as zeolitelike matarials (Venkataraman et al., 1995;Kepert & Rosseinsky, 1999), catalysts (Fujita et al., 1994) or magnetic materials (Kahn, 1993). Triethanolamine(TEA)is a good potential ligand to the incorporation of metals into metal-ion-containing supramolecular framework, and many compounds constructed from TEA have been reported in the last decade (Krabbes et al., 2000;Topcu et al., 2001;Ucar et al., 2004;Haukka et al., 2005;Guo et al., 2009) A view of (I) and its numbering scheme are shown in Fig. 1. The crystal structure consists of a complex cation, one sulfate anion and one lattice water molecue. In the complex cation, the Cu II ion is coordinated by five O atoms, in which three from the TEA ligand and two from coordination water molecules, and one N atom of the TEA ligand in a highly distorted octahedral configuration of the CuNO5 type, in which The Cu-O bond lengths and O-Cu-N bond angles are in the range of 1.944 (2)-2.389 (2) Å, 80.30 (7)-175.98 (7)°, respectively. and the Cu-N bond length is of 2.033 (2) Å, which is similar to that of the other related compounds (İçbudak et al., 1995;Yeşilel, et al., 2004). The neutral TEA ligand behaves as a tetradentate ligand using all the donor sites (N1, O1, O2 and O3).
In the crystal structure of (I), classical intermolecular O-H···O hydrogen bonds are observed (Table 2), which link the hydroxies, coordinated water molecues of the cation, sulfate anion and lattice water molecue into a two-dimensional hydrogen-bonded network and stabilize the crystal packing (Fig. 2).

Experimental
CuSO 4 .5H 2 O (0.5002 g, 2 mmol) was dissolved in 10 ml water and the pH was adjusted to 8 with triethanolamine. Blue crystals of (I) separated from the filtered solution at room temperature overseveral days.

Refinement
All H atoms bound to carbon were refined using a riding model with C-H = 0.97Å and U iso (H) = 1.2U eq (C).Three hydroxy H atoms were located in a difference map and refined with O-H distance restraints of 0.80 (1) A and with U iso (H) = 1.5U eq (O).The two coordinated water H atoms were located in a difference map and refined with O-H and H···H distance restraints of 0.85 (1) and 1.39 (1) Å, respectively, and with U iso (H) = 1.2U eq (O), while the lattice water H atoms were located in a difference map and refined with O-H and H···H distance restraints of 0.84 (1) and 1.39 (1) Å, respectively, and with U iso (H) = 1.2U eq (O). Fig. 1. View of the structure of compound (I), showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 35% probability level; H-atoms are shown as small spheres of arbitrary radius.   (2) 158 (