Literature DB >> 19652309

(Acetato-kappaO)aqua(1H-imidazole-kappaN3)(picolinato-kappa2N,O)copper(II) 0.87-hydrate: a Z' > 1 structure.

Anne-Christine Chamayou1, Chaitali Biswas, Ashutosh Ghosh, Christoph Janiak.   

Abstract

The crystal structure of the title compound, [Cu(C6H4NO2)(C2H3O2)(C3H4N2)(H2O)].0.87H2O, has a square-pyramidal-coordinated Cu(II) 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 pi-pi stacks between their imidazole and picolinate N-heterocycles, with centroid-centroid distances in the range 3.582 (2)-3.764 (2) A.

Entities:  

Year:  2009        PMID: 19652309     DOI: 10.1107/S0108270109028005

Source DB:  PubMed          Journal:  Acta Crystallogr C        ISSN: 0108-2701            Impact factor:   1.172


  1 in total

1.  Synthesis and Crystallographic Study of N'-(1-benzylpiperidin-4-yl)acetohydrazide.

Authors:  Gary S Nichol; Ruben Vardanyan; Victor J Hruby
Journal:  J Chem Crystallogr       Date:  2010-11       Impact factor: 0.603

  1 in total

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