Synthesis, structural characterization and spectroscopic properties of 1,2-bis[4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxobutyl]benzene

Miguel Guerrero, Josefina Pons, Mercè Font-Bardia, Teresa Calvet, Josep Ros

Research output: Contribution to journalArticleResearchpeer-review


The crystal structure of the title compound C22H 30N4O2•H2O (L), has been determined using X-ray diffraction at 293 K. The crystal of 1,2-bis[4-(3,5- dimethyl-1H-pyrazol-1-yl)-2-oxobutyl]benzene is in triclinic crystal system with space group P(-1) (Z = 2), lattice parameters a = 8.225(6) Å, b = 10.967(6) Å, c = 12.903(6) Å, V = 1119.1(11) Å3. Analyses of single crystals of L, crystallized from dichloromethane/diethyl ether (1:1), revealed that the molecules are arranged in couples, which adopt a pseudo chair conformation, by means of intermolecular O-H⋯N hydrogen bonding interactions. Moreover, the extended structure revealed a 1D chain caused by several C-H⋯N intermolecular interactions. Index Abstract: The crystal of a N,O-hybrid pyrazolic ligand has been determined. Analyses of single crystals revealed that the molecules in the crystal pack are arranged in couples, due to intermolecular O-H⋯N and C-H⋯N interactions. © 2011 Springer Science+Business Media, LLC.
Original languageEnglish
Pages (from-to)721-726
JournalJournal of Chemical Crystallography
Issue number5
Publication statusPublished - 1 May 2011


  • Dimeric compound
  • Hydrogen bonding
  • Pyrazole hybrid ligand
  • Supramolecular chemistry
  • X-ray crystal structure


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