Crystal Research and Technology
Cryst. Res. Technol. 41, 309 (2006) - Abstract -

Crystal structure analysis of {bis-2,6-(3,5-dimethylprazolyl) pyridine-dicyanato}copper(II)monohydrate

C. Arici, D. Ülkü, R. Kurtaran*, Ü. Ergun**, O. Atakol**

Department of Engineering Physics, University of Hacettepe, Beytepe, Ankara, 06800, Turkey
*Department of Chemistry, University of Balikesir, Balikesir, 10100, Turkey
*Department of Chemistry, University of Ankara, Tandogan, Ankara, 06100, Turkey

Keywords crystal structure, mononuclear copper complex
PACS 61.66.Hq
DOI 10.1002/crat.200510579

A mononuclear copper(II) complex, [Cu(dmpp)(OCN)2(H2O)], was synthesized using 2,6-bis (3,5-dimethylpyrazolyl) pyridine (dmpp) and cyanate anion (OCN), and characterized by single crystal X-ray diffraction. The coordination around the Cu atom is a distorted square-pyramid involving three N atoms from the dmpp ligand and one N atom from OCN at the basal plane. The O atom of the OCN group is located at the apical position.The Cu atom is located 0.2782(1) Å above the basal plane. The Cu atom is coordinated by different donor atoms of the OCN groups. The complex crystalizes in monoclinic space group P21/n, with unit cell dimensions a= 12.4413(12), b=11.1457(13), c=14.2203(12) Å, β=108.817(3)°, V= 1866.5(3) Å3. The cell containes 4 molecules. In the crystal, there are three intermolcular and three intramolecular hydrogen bonds interactions. The Cu atom and crystal water O interactions is 5.574 Å.





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