Article ID Journal Published Year Pages File Type
1238159 Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2008 7 Pages PDF
Abstract
A simple mono-aqua-dichloro copper(II) pyrimidone complex has been synthesized and characterized using various spectral techniques such as Infrared and Raman in addition to the single crystal X-ray diffraction. The single crystal X-ray analysis carried out for the complex under study brings out the fact that there are two molecules in the unit cell with parameters a = 9.657(2); b = 3.857(2); c = 10.781(2); α = 90°; β = 107.781°; γ = 90°; V = 382.891 and are crystallized in monoclinic crystal system with Pn space group. In solid state the molecules are interconnected through strong hydrogen bonding [O4⋯H21-O2W = 2.644 Å; O4⋯H21 = 1.853 Å; ∠O4⋯H21-O2W = 172.87°;] formed between the coordinated water molecule (O2W) and the exocyclic ketonic oxygen of the pyrimidone ring (O4). This H-bonding interaction causing a twist in the C1 = O1⋯H21 segment [∠C1 = O1⋯H21 = 122.29°] in combination with weak π-π stacking interaction (3.857 Å) of the adjacent pyrimidone rings brings the single stranded helical chain which possesses both P and M sense of supramolecular helical assembly. The internal and external modes of vibrations of the crystal under study have been estimated and discussed by applying group theoretical methods.
Related Topics
Physical Sciences and Engineering Chemistry Analytical Chemistry
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