357614-52-9Relevant academic research and scientific papers
Copper(II) complexes based on a new chelating 4-(3,5-diphenyl-1H-pyrazol-1-yl)-6-(piperidin-1-yl)pyrimidine ligand: Synthesis and crystal structures. Lone pair-π, C-H···π, π-π and C-H···A (A = N, Cl) non-covalent interactions
Bushuev, Mark B.,Krivopalov, Viktor P.,Pervukhina, Natalia V.,Naumov, Dmitrii Yu.,Moskalenko, Gennadii G.,Vinogradova, Katerina A.,Sheludyakova, Lilia A.,Larionov, Stanislav V.
experimental part, p. 1547 - 1555 (2010/08/04)
A new bidentate chelating pyrazolylpyrimidine ligand bearing a strong electron-donating substituent, i.e. 4-(3,5-diphenyl-1H-pyrazol-1-yl)-6-(piperidin-1-yl)pyrimidine (L) (Scheme 1), has been synthesized and used to obtain the copper(II) complexes by reaction with CuCl2. The molar ratio Cu:L = 1:2 leads to isolation of a complex having CuL2Cl2 empirical formula, while the molar ratio Cu:L = 1:1 gives a complex with CuLCl2 empirical formula. The crystal structure of L as well as the structures of both complexes were studied by single crystal X-ray diffraction. The crystal structure of CuL2Cl2 compound is formed by trans-[CuL2Cl2] mononuclear molecules. Surprisingly, in contrast to the previous compound having molecular structure, the crystal structure of CuLCl2 consists of mononuclear [CuL2Cl]+ complex cations and dinuclear [Cu2Cl6]2- anions. Thus, formula of CuLCl2 complex can be represented as [CuL2Cl]2[Cu2Cl6]. In both complexes molecules of L adopt bidentate chelating coordination mode through N2 atom of pyrazole and N3 atom of pyrimidine rings forming five-membered CuN3C metallocycles. Owing to C-H···N interactions and π-π-stacking L molecules form 2D network. In the structure of trans-[CuL2Cl2] there exist double lone pair(N(piperidine))-π(pyrimidine) interactions and C-H···Cl contacts resulting in the formation of 1D chains. Layered 2D structure of [CuL2Cl]2[Cu2Cl6] results from C-H···Cl, C-H···π and double lone pair(Cl([CuL2Cl]+ complex cation)-π(pyrimidine) interactions.
