Abstract: A novel pyrazolylpyrimidine ligand ( L) and its complex CuLCl2 were prepared and structurally characterized. The simultaneous crystallization of three polymorphs of CuLCl2, green ( G), emerald green (EG) and orange (O), was discovered. The molecular structures vary only slightly between the three forms. The Cu atom forms four coordinate bonds with the two N and two Cl atoms, and a shortened Cu center dot center dot center dot H contact with an H atom of the phenyl ring in L. The structural difference between polymorphs was analyzed with the boundary surfaces of molecular Voronoi-Dirichlet polyhedra. The difference in colour of the polymorphs is likely to be due to the different pi-pi stackings. There is no stacking in the G modification, but EG and O polymorphs demonstrate face-to-face and slipped stacking, resulting in dimers and infinite chains, respectively. The EG and O polymorphs are packed according to the hexagonal close-packing motif, while in G no special topology is found.

Cite: Peresypkina E. , Bushuev M. , Virovets A. , Krivopalov V. , Lavrenova L. , Larionov S.
Three differently coloured concomitant polymorphs: synthesis, structure and packing analysis of (4-(3 ',5 '-dimethyl-1H-pyrazol-1 '-yl)-6-methyl-2-phenylpyrimidine)dichlorocopper(II)
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS. 2005. V.61. P.164-173. DOI: 10.1107/S010876810403294X WOS Scopus РИНЦ

Dates:

Published online:	Mar 16, 2005
Published print:	Apr 1, 2005

Identifiers:

Web of science	WOS:000227665700007
Scopus	2-s2.0-25444504462
Elibrary	13484716
OpenAlex	W1972854266

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