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. , ...More

JOURNAL OF CHEMICAL CRYSTALLOGRAPHY, vol.40, no.10, pp.812-815, 2010 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 40 Issue: 10
  • Publication Date: 2010
  • Doi Number: 10.1007/s10870-010-9743-5
  • Title of Journal : JOURNAL OF CHEMICAL CRYSTALLOGRAPHY
  • Page Numbers: pp.812-815

Abstract

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.