JOURNAL OF CHEMICAL CRYSTALLOGRAPHY, cilt.40, sa.10, ss.812-815, 2010 (SCI-Expanded)
The titled new functionalized ligand of type 2-[(phenyl)-(3,5-dimethyl-pyrazol-1-yl)-methyl]-malonic acid diethyl ester (4) is prepared in good yield through condensation of 3,5-dimethyl-pyrazole, with 2-arylidene-malonic acid diethyl esters 3. The structure of 4 was determined by spectral (IR, H-1 and C-13 NMR), elemental analyses and X-ray diffraction data. The title compound (4) crystallizes in the monoclinic space group P2(1)/a, with a = 7.9253 (2), b = 17.1299 (5), c = 13.4522 (4) angstrom, beta = 90.220 (2)degrees, V = 1,826.25 (9) angstrom(3), Z = 4 and with R-int = 0.021. The molecular conformation shows two possible pockets ready to coordinate two metal atoms. The crystal structure of (4) is stabilized by inter-molecular C-H center dot center dot center dot O and C-H center dot center dot center dot N hydrogen bonding.