A 2:1 cocrystal of the cis and trans isomers of bis-[1,1,1,5,5,5-hexa-fluoro-pentane-2,4-dionato(1-)-κO,O']bis-(4-phenyl-pyridine N-oxide-κO)copper(II)

José A Fernandes; Ana I Ramos; Susana S Braga; Filipe A Almeida Paz

doi:10.1107/S1600536810049196

A 2:1 cocrystal of the cis and trans isomers of bis-[1,1,1,5,5,5-hexa-fluoro-pentane-2,4-dionato(1-)-κO,O']bis-(4-phenyl-pyridine N-oxide-κO)copper(II)

Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 27;66(Pt 12):m1689-90. doi: 10.1107/S1600536810049196.

Authors

José A Fernandes¹, Ana I Ramos, Susana S Braga, Filipe A Almeida Paz

Affiliation

¹ Department of Chemistry, University of Aveiro, CICECO, 3810-193 Aveiro, Portugal.

Abstract

The title compound is a co-crystal of the cis and trans isomers, namely cis-bis-[1,1,1,5,5,5-hexa-fluoro-pentane-2,4-dionato(1-)-κ(2)O,O']bis-(4-phenyl-pyridine N-oxide-κO)copper(II)-trans-bis-[1,1,1,5,5,5-hexa-fluoro-pentane-2,4-dionato(1-)-κ(2)O,O']bis(4-phenyl-pyridine N-oxide-κO)copper(II) (2/1), [Cu(C(5)HF(6)O(2))(2)(C(11)H(9)NO)(2)]. In both isomers, the coordination geometry of the Cu(2+) atom is octa-hedral, exhibiting typical Jahn-Teller distortion. The metal atom of the trans isomer is located on an inversion centre. In the cis isomer, the phenyl ring in one 4-phenyl-pyridine N-oxide ligand is disordered over two orientations in a 1:1 ratio. In the crystal, weak inter-molecular C-H⋯F and C-H⋯O contacts establish connections between the cis and trans isomers.