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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-)-?O,O']bis-(4-phenyl-pyridine N-oxide-?O)copper(II).


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-)-?(2)O,O']bis-(4-phenyl-pyridine N-oxide-?O)copper(II)-trans-bis-[1,1,1,5,5,5-hexa-fluoro-pentane-2,4-dionato(1-)-?(2)O,O']bis(4-phenyl-pyridine N-oxide-?O)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.

SUBMITTER: Fernandes JA 

PROVIDER: S-EPMC3011520 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

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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).

Fernandes José A JA   Ramos Ana I AI   Braga Susana S SS   Almeida Paz Filipe A FA  

Acta crystallographica. Section E, Structure reports online 20101127 Pt 12


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  ...[more]

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