Structural and Theoretical Evidence of the Depleted Proton Affinity of the N3-Atom in Acyclovir

Structural and Theoretical Evidence of the Depleted Proton Affinity of the N3-Atom in Acyclovir

The hydronium salt (H3O)2[Cu(N7–acv)2(H2O)2(SO4)2]·2H2O (1, acv = acyclovir) has been synthesized and characterized by single-crystal X-ray diffraction and spectral methods. Solvated Cu(OH)2 is a by-product of the synthesis. In the all-trans centrosymmetric complex anion, (a) the Cu(II) atom exhibit...

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Bibliographic Details
Main Authors: Esther Vílchez-Rodríguez, Inmaculada Pérez-Toro, Antonio Bauzá, Antonio Matilla-Hernández
Format: Article
Language:English
Published: MDPI AG 2016-10-01
Series:Crystals
Subjects:
copper(II)
mixed-ligand
hydronium
crystal structure
DFT calculations
interligand interactions
Online Access:http://www.mdpi.com/2073-4352/6/11/139

Internet

http://www.mdpi.com/2073-4352/6/11/139

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