Structure of 2-[(Phenyl)-(3,5-Dimethyl-Pyrazol-1-yl)-Methyl]-Malonic Acid Diethyl Ester

Meskini I., Toupet L., Daoudi M., Kerbal A., AKKURT M. , Chohan Z. H. , ...Daha Fazla

JOURNAL OF CHEMICAL CRYSTALLOGRAPHY, cilt.40, sa.10, ss.812-815, 2010 (SCI İndekslerine Giren Dergi) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 40 Konu: 10
  • Basım Tarihi: 2010
  • Doi Numarası: 10.1007/s10870-010-9743-5
  • Sayfa Sayıları: ss.812-815


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.