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Bis(7-amino-1,2,4-triazolo[1,5-a]pyrimidin-4-ium) bis­(oxalato-κ(2) O (1),O (2))cuprate(II) dihydrate

The structure of the title ionic compound, (C(5)H(6)N(5))(2)[Cu(C(2)O(4))(2)]·2H(2)O, consists of a centrosymmetric copper(II) oxalate dianion, two monoprotonated mol­ecules of the adenine analog 7-amino-1,2,4-triazolo[1,5-a]pyrimidine (7atp) and two water mol­ecules of crystallization. The Cu(II) i...

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Detalles Bibliográficos
Autores principales: Caballero, Ana B., Castillo, Óscar, Rodríguez-Diéguez, Antonio, Salas, Juan M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3246957/
https://www.ncbi.nlm.nih.gov/pubmed/22219777
http://dx.doi.org/10.1107/S1600536811040724
Descripción
Sumario:The structure of the title ionic compound, (C(5)H(6)N(5))(2)[Cu(C(2)O(4))(2)]·2H(2)O, consists of a centrosymmetric copper(II) oxalate dianion, two monoprotonated mol­ecules of the adenine analog 7-amino-1,2,4-triazolo[1,5-a]pyrimidine (7atp) and two water mol­ecules of crystallization. The Cu(II) ion, located on an inversion center, exhibits a sligthly distorted square-planar coordination geometry, in which two oxalate anions bind in a bidentate fashion. The triazolopyrimidine ligand is protonated at the N atom in position 4, instead of its most basic N atom in position 3. This fact may be explained by the network stability, which is provided through the formation of a two-dimensional wave-like network parallel to (50[Image: see text]) by N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds. These nets are further connected via C—H⋯O inter­actions.