(Acetato-κO)aqua(1H-imidazole-κN3)(picolinato-κ2N,O)copper(II) 0.87-hydrate: a Z′> 1 structure

The crystal structure of the title compound, [Cu(C6H4NO2)(C2H3O2)(C3H4N2)(H2O)]·0.87H2O, has a square‐pyramidal‐coordinated CuII centre (the imidazole is trans to the picolinate N atom, the acetate is trans to the picolinate –CO2 group and the aqua ligand is in a Jahn–Teller‐elongated apical positio...

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Bibliographic Details
Published in:Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2009-08, Vol.65 (8), p.m311-m313
Main Authors: Chamayou, Anne-Christine, Biswas, Chaitali, Ghosh, Ashutosh, Janiak, Christoph
Format: Article
Language:English
Subjects:
Chemical compounds
Crystal structure
Crystallography
Geometry
Hydrogen bonds
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Summary:The crystal structure of the title compound, [Cu(C6H4NO2)(C2H3O2)(C3H4N2)(H2O)]·0.87H2O, has a square‐pyramidal‐coordinated CuII centre (the imidazole is trans to the picolinate N atom, the acetate is trans to the picolinate –CO2 group and the aqua ligand is in a Jahn–Teller‐elongated apical position) and has two symmetry‐independent molecules in the unit cell (Z′ = 2), which are connected through complementary imidazole–picolinate N—H...O hydrogen bonding. The two partially occupied solvent water molecules are each disordered over two positions. The disordered solvent water molecules, together with pseudosymmetry elements, support the notion that a crystal structure with multiple identical chemical formula units in the structural asymmetric unit (Z′ > 1) can represent a crystal `on the way', that is, a kinetic intermediate form which has not yet reached its thermodynamic minimum. Neighbouring molecules form π–π stacks between their imidazole and picolinate N‐heterocycles, with centroid–centroid distances in the range 3.582 (2)–3.764 (2) Å.
ISSN:0108-2701
1600-5759
DOI:10.1107/S0108270109028005