Valach, Fedor Melník, Milan Bernardinelli, Gérald Fromm, Katharina M. 2006-06-27 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. application/pdf https://folia.unifr.ch/global/documents/300876 https://folia.unifr.ch/documents/300876/files/fromm_ssc.pdf eng info:eu-repo/semantics/altIdentifier/doi/10.1007/s10870-006-9102-8 info:eu-repo/semantics/openAccess License undefined Journal of Chemical Crystallography. - 2006, vol. 36, no. 9, p. 571-580 copper(II) carboxylates halogenopropionates caffeine crystal structure p-p stacking interaction info:eu-repo/classification/udc/54 A structural study of copper(II) carboxylates: Crystal structure and physical characterisation of [Cu₂(2-bromopropanoato)₄(caffeine)₂] http://purl.org/coar/resource_type/c_6501