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-pi, C-H center dot center dot center dot pi, pi-pi and C-H center dot center dot center dot A (A = N, Cl) non-covalent interactions

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-pi, C-H center dot center dot center dot pi, pi-pi and C-H center dot center dot center dot A (A = N, Cl) non-covalent interactions Full article

Journal

Inorganica Chimica Acta
ISSN: 0020-1693 , E-ISSN: 1873-3255

Output data

Year: 2010, Volume: 363, Number: 7, Pages: 1547-1555 Pages count : DOI: 10.1016/j.ica.2010.01.013

Tags

Copper(II) complexes; Pyrazolylpyrimidines; Crystal structures; Non-covalent (lone pair-pi, C-H center dot center dot center dot pi, pi-pi, C-H center dot center dot center dot N and C-H center dot center dot center dot Cl) interactions

Authors

Bushuev Mark B. ^1,2 , Krivopalov Viktor P. ³ , Pervukhina Natalia V. ¹ , Naumov Dmitrii Yu. ¹ , Moskalenko Gennadii G. ³ , Vinogradova Katerina A. ^1,2 , Sheludyakova Lilia A. ^1,2 , Larionov Stanislav V. ¹

Affiliations

1	(Данные Web of science) Russian Acad Sci, Nikolaev Inst Inorgan Chem, Siberian Branch, Novosibirsk 630090, Russia
2	(Данные Web of science) Novosibirsk State Univ, Novosibirsk 630090, Russia
3	(Данные Web of science) Russian Acad Sci, NN Vorozhtsov Novosibirsk Inst Organ Chem, Siberian Branch, Novosibirsk 630090, Russia

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 N-2 atom of pyrazole and N-3 atom of pyrimidine rings forming five-membered CuN3C metallocycles. Owing to C-H center dot center dot center dot N interactions and pi-pi-stacking L molecules form 2D network. In the structure of trans-[CuL2Cl2] there exist double lone pair(N(piperidine))-pi(pyrimidine) interactions and C-H center dot center dot center dot Cl contacts resulting in the formation of 1D chains. Layered 2D structure of [CuL2Cl](2)[Cu2Cl6] results from C-H center dot center dot center dot Cl, C-H center dot center dot center dot pi and double lone pair (Cl([CuL2Cl](+) complex cation)-pi(pyrimidine) interactions. (C) 2010 Elsevier B.V. All rights reserved.

Bushuev M.B. , Krivopalov V.P. , Pervukhina N.V. , Naumov D.Y. , Moskalenko G.G. , Vinogradova K.A. , Sheludyakova L.A. , Larionov S.V.
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-pi, C-H center dot center dot center dot pi, pi-pi and C-H center dot center dot center dot A (A = N, Cl) non-covalent interactions
Inorganica Chimica Acta. 2010. V.363. N7. P.1547-1555. DOI: 10.1016/j.ica.2010.01.013 WOS Scopus РИНЦ

Published print:

Apr 1, 2010

Web of science	WOS:000276190300031
Scopus	2-s2.0-77950021661
Elibrary	15317312
OpenAlex	W1994000032