Synthesis and structure of diaquadichlorobis {9-[(2-hydroxyethoxy)methyl]guanine} copper(II)

Add time:08/08/2019    Source:sciencedirect.com

A compound with the title [Cu(C8H11N5O3)2(Cl)2(H2O)2] has been prepared from an aqueous solution of CuCl2 and 9-[(2-hydroxyethoxy)methyl]guanine, acyclovir. The crystal structure has been determined by x-ray diffraction. The compound crystallizes in the monoclinic space group C2/c with a = 19.416(2), b = 10.086(1), c = 13.524(2) Å, β = 111.17(1)°, V = 2469.67 Å3, Z = 4. Least-squares refinement of the structure based on 2775 observations led to an R factor of 0.038. The structure consists of distorted octahedral molecules with Cl ligands and H2O ligands in trans positions [Cu-Cl 2.883(1) and Cu-O(W) 1.983(2) Å]. The 9-[(2-hydroxyethoxy)methyl]guanine is trans linked to Cu through N(7) [2.029(2) Å]. The side chain is partially folded. A short intramolecular hydrogen bond between O(6) and O(Wl) [2.594 Å] significantly lowers the carbonyl stretching frequency [1715 to 1657 cm−1] in the FT-IR spectrum.

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