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CC Attribution-Noncommercial-No Derivative Works 2.5 India., The synthesis, structural elucidation and TD-DFT analysis of the self-assembly of a cobalt(II) complex with cyanuric acid is reported. The asymmetric unit in the crystal comprises a cobalt complex cation, [Co(H2CA)(H2O)5]+(H3CA = cyanuric acid), a cyanurate mono anion, and two lattice water molecules, which are assembled in the supramolecular network via pair-wise coupling of N-H···O type occurring between the ion pairs and additional hydrogen bonds involving aqua ligands and lattice water molecules., The authors gratefully acknowledge the financial assistance given by the DSt, Govt. of India, under the SERB Fast Track Scheme to SCM (grant no. SR/FT/CS-131/2010).

[{Ru(6-p-cymene)(-Cl)Cl}2] and [{Ru(3:3-C10H16) (-Cl)Cl}2] react with Ph2PCH2P{=NP(=O)(OR)2}Ph2 (R = Et (1a), Ph (1b)) affording complexes [Ru(-p-cymene)Cl2Cl2(1-P- Ph2PCH2P{=NP(=O)(OR)2}Ph2)] (R = Et (2a), Ph (2b)) and [Ru(3:3-C10H16) Cl2(1-P-Ph2PCH2P{=NP(=O) (OR)2}Ph2)] (R = Et (6a), Ph (6b)). While treatment of 2a with 1 equiv of AgSbF6 yields a mixture of [Ru(6-p-cymene)Cl(2-P, O-Ph2PCH2P{=NP(=O)(OEt)2}Ph2)]- [SbF6] (3a) and [Ru(6-p-cymene)Cl(2-P,N-Ph2 PCH2P{=NP(=O)(OEt)2}Ph2)][SbF6] (4a), [Ru(6-p-cymene)Cl(2. P,O-Ph2PCH2P{=NP(=O)(OPh)2} Ph2)][SbF6] (3b) and [Ru(3:3-C10H16)Cl (2-P,O-Ph2PCH2P{=NP(=O) (OR)2}-Ph2)][SbF6] (R = Et (7a), Ph (7b)) are selectively formed from 2b and 6a,b. Complexes [Ru(6-p-cymene)(3-P,N,O-Ph2 PCH2P{=NP(=O)(OR)2}Ph2)] [SbF6]2 (R = Et (5a), Ph (5b)) and [Ru(3:3-C10H16) (3-P,N,O-Ph2PCH2P{= NP(=O)(OR)2}Ph2)][SbF6]2 (R = Et (8a), Ph (8b)) have been prepared using 2 equiv of AgSbF6. The reactivity of 3-5a,b has been explored allowing the synthesis of [Ru(6-p-cymene)X2(1-P- Ph2PCH2P{=NP(=O)(OR)2}Ph2)] (R = Et, Ph; X = Br, I, N3, NCO (9-12a,b)). The catalytic activity of 2-8a,b in transfer hydrogenation of cyclohexanone, as well as theoretical calculations on the models [Ru(6-C6H6)Cl(2-P, N-H2PCH2P{=NP(=O)-(OH)2} H2)]+ and [Ru(6-C6H6)Cl(2-P, O-H2PCH2P{=NP(=O)(OH)2} H2)]+, has been also studied.

[EN] Several novel metal-quinolone compounds have been synthesized and characterized by analytical, spectroscopic and X-ray diffraction methods. The crystal structure of the four compounds, Na2[(Cd(Cx)3)(Cd(Cx)3(H2O))]·12H2O, [Co(Cp)2(H2O)2]·9H2O, [Zn(Cp)2(H2O)2]·8H2O and [Cd(HCp)2(Cl)2]·4H2O, is presented and discussed: HCx=1-ethyl-1,4-dihydro-4-oxo(1,3)-dioxolo(4,5-g)cinnoline-3-carboxylic acid and HCp=1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinoline carboxylic acid. In all these compounds the quinolone acts as a bidentate chelate ligand that binds through one carboxylate oxygen atom and the exocyclic carbonyl oxygen atom. Complexes of ciprofloxacin were screened for their activity against several bacteria, showing activity similar to that of the ligand. In addition, the number of bacteria killed after 3 h of incubation with the ligand, [Co(Cp)2(H2O)2]·9H2O, Ni(Cp)2·10H2O and Cu(Cp)2·6H2O, was determined against S. aureus ATCC25923. There is a direct relationship between the growth rate and the lethal rate. Against growing bacteria, the ligand is the most bactericidal and Cu(Cp)2·6H2O is the less bactericidal. On the contrary, against non-dividing bacteria, the complexes were more bactericidal than the ligand, with Cu(Cp)2·6H2O the most bactericidal compound., We thank Dr. J. Borrás for EPR studies and Dr. J.A. Real for magnetic susceptibility measurements. Financial support from CICYT (PM97-0105-C02-01) is gratefully acknowledged.