0000000001317839

AUTHOR

Totan Mondal

showing 2 related works from this author

A phenoxo-bridged dicopper(ii) complex as a model for phosphatase activity: mechanistic insights from a combined experimental and computational study

2017

A μ-phenoxo-bis(μ2-1,3-acetato)-bridged dicopper(II) complex [CuII2(L1)(μ-O2CMe)2][NO3] (1) has been synthesized from the perspective of modeling phosphodiesterase activity. Structural characterization was done initially with 1·3Et2O (vapour diffusion of Et2O into MeOH solution of 1; poor crystal quality) and finally with its perchlorate salt [CuII2(L1)(μ-O2CMe)2][ClO4]·1.375MeCN·0.25H2O, crystallized from vapour diffusion of n-pentane into a MeCN–MeOH mixture (comparatively better crystal quality). An asymmetric unit of such a crystal contains two independent molecules of compositions [CuII2(L1)(μ-O2CMe)2][ClO4] and [CuII2(L1)(μ-O2CMe)2(MeCN)][ClO4] (coordinated MeCN with 0.75 occupancy), …

Models MolecularReaction mechanismStereochemistryMolecular ConformationLigands010402 general chemistry01 natural sciencesPhosphateslaw.inventionCatalysisInorganic ChemistryCrystalMetalchemistry.chemical_compoundBiomimetic MaterialsCoordination ComplexeslawMoleculeCrystallizationAcetonitrile010405 organic chemistryHydrolysisMagnetic PhenomenaTemperaturePhosphoric Monoester Hydrolases0104 chemical sciencesSolventKineticsCrystallographychemistryvisual_artvisual_art.visual_art_mediumCopperDalton Transactions
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CCDC 1527528: Experimental Crystal Structure Determination

2017

Related Article: Suman K. Barman, Totan Mondal, Debasis Koley, Francesc Lloret, Rabindranath Mukherjee|2017|Dalton Trans.|46|4038|doi:10.1039/C6DT03514K

Space GroupCrystallographyCrystal SystemCrystal Structure(mu-4-methyl-26-bis{[3-(pyridin-2-yl)-1H-pyrazol-1-yl]methyl}phenolato)-bis(mu-acetato)-di-copper(ii) perchlorate acetonitrile solvate hydrateCell ParametersExperimental 3D Coordinates
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