Sample Originator: A. Azam, 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 and N. Bharti.



Identification Number:10.5258/ecrystals/100
Date Created:20 September 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 formulaC12 H18 Cl2 N6 O6 Pt
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a6.9169(14)
Cell length b21.853(4)
Cell length c6.7218(13)
Cell angle alpha90.00
Cell angle beta110.79(3)
Cell angle gamma90.00
Data collection temperature150(2)

Refinement results

Solution figure of merit0.0803
R Factor (Obs)0.0433
R Factor (All)0.0480
Weighted R Factor (Obs)0.1192
Weighted R Factor (All)0.1258

Citation: Azam, A. and 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. (2000) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/100)
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