6533b7d2fe1ef96bd125e9d7

RESEARCH PRODUCT

X-ray crystal structure and electronic properties of chlorobis(mepirizole)copper(II) tetrafluoroborate (mepirizole = 4-methoxy-2-(5-methoxy-3-methyl-1H-pyrazol-1-yl)-6-methylpyrimidine)

Emilio EscrivàJuan Server-carrióCarmen MollaJosé-vicente FolgadoLuis LezamaJulia García-lozano

subject

chemistry.chemical_elementCrystal structureChromophoreCopperSquare pyramidal molecular geometryIonlaw.inventionInorganic ChemistryCopper(II) tetrafluoroboratechemistry.chemical_compoundCrystallographychemistrylawMaterials ChemistryPhysical and Theoretical ChemistryGround stateElectron paramagnetic resonance

description

Abstract The crystal structure of [Cu(mep)2Cl](BF4)[mep = 4-methoxy-2-(5-methoxy-3-methyl-1H-pyrazol-1-yl)-6-methylpyrimidine] has been determined by X-ray diffraction. The crystal structure is built up of [Cu(mep)2Cl]+ cations and BF4− anions. The structure of the cation involves a five-coordinated CuN4Cl chromophore, with a stereochemistry near to a compressed trigonal bypyramid (TBP) but with a significant degree of distortion towards the square pyramidal (SP) topology. The EPR spectrum is indicative of a mixed dz2/dx2 − y2 ground state for the copper(II) ions, in agreement with the structural data.

yearjournalcountryeditionlanguage
1997-01-01Polyhedron
https://doi.org/10.1016/s0277-5387(96)00346-4