In:
Acta Crystallographica Section B Structural Science, International Union of Crystallography (IUCr), Vol. 61, No. 2 ( 2005-04-01), p. 164-173
Abstract:
A novel pyrazolylpyrimidine ligand ( L ) and its complex Cu L Cl 2 were prepared and structurally characterized. The simultaneous crystallization of three polymorphs of Cu L Cl 2 , 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...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 π–π 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.
Type of Medium:
Online Resource
ISSN:
0108-7681
DOI:
10.1107/S010876810403294X
DOI:
10.1107/S010876810403294X/av5023sup1.cif
DOI:
10.1107/S010876810403294X/av50231sup2.hkl
DOI:
10.1107/S010876810403294X/av50232gsup3.hkl
DOI:
10.1107/S010876810403294X/av50232egsup4.hkl
DOI:
10.1107/S010876810403294X/av50232osup5.hkl
Language:
Unknown
Publisher:
International Union of Crystallography (IUCr)
Publication Date:
2005
detail.hit.zdb_id:
2020841-8
SSG:
13
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