Crystal Research and Technology
Cryst. Res. Technol. 36 (2001) 615 - Abstract -

G. Y. S. K. Swamy, K. Chandra Mohan, K. Ravikumar

Laboratory of Crystallography, Indian Institute of Chemical Technology, Hyderabad, India

Crystal and Molecular Structure of bis[diaaqua(1H-cyclopenta(2,1-b:3,4-b’)(dipyridine -2,5-dione))Nickel(II)] dihydrate

The title compound [Ni(CPDD)(H2O)2]2(H2O)2, {[Ni2(C44H28N8O12)] (H2O)2 }, where CPDD = 1H-cyclopenta(2,1-b:3,4-b’)(dipyridine -2,5-dione) has been prepared and its crystal structure determined by single crystal X-ray diffraction at room temperature. The complex crystallizes in the triclinic space group P1 with two molecules in the asymmetric unit. The cell dimensions are a=10.452(1), b=14.098(1) & c=16.023 Å; α =110.13(1), β = 100.63(1) & γ = 100.85(1)°. The two independent molecules in the asymmertic unit are related by pseudo two fold symmetry. In both the molecules the coordination environment around the Ni(II) may be best described as a distorted octahedral. Due to some delocalization of charge towards one of the oxygens(O1a) from the O2a atom some degree of bond localization has been observed. The individual diones of both the molecules are almost right angles at the metal atom. Along the y-axis inversion related molecules are forming pseudo-dimers through hydrogen bonding.

Keywords: crystal structure, X-ray diffraction, dione, pseudo dimers, nickel(II) complex


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