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A structural study of copper(II) carboxylates: Crystal structure and physical characterisation of [Cu₂(2-bromopropanoato)₄(caffeine)₂]

  • Valach, Fedor Slovak University of Technology, Faculty of Chemical and Food Technology, Institute of Physical Chemistry and Chemical Physics, Bratislava, Slovak Republic - Department of Chemistry, University of Basel, Switzerland
  • Melník, Milan Slovak University of Technology, Faculty of Chemical and Food Technology, Institute of Inorganic Chemistry, Technology and Materials, Bratislava, Slovak Republic
  • Bernardinelli, Gérald Laboratory of X-ray Crystallography, University of Geneva, Switzerland
  • Fromm, Katharina M. Department of Chemistry, University of Basel, Switzerland - Department of Chemistry, University of Fribourg, Switzerland
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    27.06.2006
Published in:
  • Journal of Chemical Crystallography. - 2006, vol. 36, no. 9, p. 571-580
copper(II)
carboxylates
halogenopropionates
caffeine
crystal structure
p-p stacking interaction
English Based on the bond-valence sum model the continual transition between the bidentate and monodentate bonding mode of carboxylato group and minimum of Cu–O bond lengths were estimated. The dependence of Cu⋯Cu separation on Cu–N bond length in binuclear Cu(II) carboxylates with caffeine were derived and fitted to the observed data. The crystal structure of [Cu₂(2-bromopropanoato)₄(caffeine)₂] has been determined by X-ray crystallography. The structure consists of centrosymmetric binuclear units where the two Cu atoms are coordinated by four disordered bridging 2-bromopropionates and two caffeine ligands at the apices of a bicapped square prism. Both 2-bromopropionates show disorder of their –Br and –CH₃ substituents. Stacking π·π interactions between the adjacent caffeine molecules link the complex units in 1-D networks. The binuclear structure of the studied compound is consistent with magnetic data and EPR spectrum.
Faculty
Faculté des sciences et de médecine
Department
Département de Chimie
Language
  • English
Classification
Chemistry
License
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Persistent URL
https://folia.unifr.ch/unifr/documents/300876
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