trans-Dichloro-bis(1-(2'-hydroxyethyl)-2-methyl-5-nitroimidazole-N3)-palladium(ii)

Sample Originator: M. R. Maurya, F. Naqvi, B. D. Mata-Cardenas, D. E. Cruz-Vega, M. T. G. Garza, Thomas A. Mayer, Michael B. Hursthouse, Simon J. Coles, N. Bharti and A. Azam.

C₁₂H₁₈Cl₂N₆O₆Pd

InChI=1/C6H9N3O3.ClH.Pd/c1-5-7-4-6(9(11)12)8(5)2-3-10;;/h4,10H,2-3H2,1H3;1H;/q;;+1/p-1

Identification Number:	10.5258/ecrystals/99
Date Created:	08 August 2000
Deposited On:	21 Jan 2008 15:29
Deposited By:	A.N. Admin

Depositor Comments

Reaction of trans-[PdCl2(DMSO)2], cis-[PtCl2(DMSO)2], and [Cu(OAc)2]H2O with metronidazole (mnz) leads to the formation of new complexes, i.e., trans-[PdCl2(mnz)2] (1), trans-[PtCl2(mnz)2] (2), and trans-[Cu2(OAc)4(mnz)2] (3), respectively. Complexes 1-3 crystallize all in the centrosymmetric monoclinic space group P21/c with Z=8. Unit-cell parameters for these complexes are: 1, a=7.1328(14) Å, b=20.699(4) Å, c=7.1455(14) Å, and =116.17(3)°; 2, a=6.9169(14) Å, b=21.853(4) Å, c=6.7218(13) Å, and =110.79(3)°; 3, a=9.1663(18) Å, b=19.129(4) Å, c=8.9446(18) Å, and =116.44(3)°. The complexes 1 and 2 maintain an ideal square-planar geometry. In complex 3, the H2O molecules of the starting complex are replaced by metronidazole while maintaining a dimeric structure of [Cu(OAc)2]. Each Cu ion has an ideal octahedral structure, though distortion occurs in the equatorial position where the acetato ligands are attached. The CuCu separation of 2.6343(8) Å indicates considerable metal-metal interaction. The testing of the antiamoebic activity of these complexes against the protozoan parasite Entamoeba histolytica suggests that compound 1-3 might be endowed with important antiamoebic properties since they showed IC50 values in a M range better than metronidazole (Table 2). Thus, compound 1 displayed more effective amoebicidal activity than metronidazole (IC50 values of 0.103 M vs. 1.50 M, resp.).

Data collection parameters

Chemical formula	C12 H18 Cl2 N6 O6 Pd
Crystal morphology
Crystal system	Monoclinic
Space group symbol	P2(1)/c
Cell length a	7.1328(14)
Cell length b	20.699(4)
Cell length c	7.1455(14)
Cell angle alpha	90.00
Cell angle beta	116.17(3)
Cell angle gamma	90.00
Data collection temperature	293(2)

Refinement results

Solution figure of merit	0.0826
R Factor (Obs)	0.0229
R Factor (All)	0.0298
Weighted R Factor (Obs)	0.0538
Weighted R Factor (All)	0.0572

Citation: Maurya, M. R. and Naqvi, F. and Mata-Cardenas, B. D. and Cruz-Vega, D. E. and Garza, M. T. G. and Mayer, Thomas A. and Hursthouse, Michael B. and Coles, Simon J. and Bharti, N. and Azam, A. (2000) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/99)
Export as: oreChem EndNote BibTeX ASCII Citation