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Crystal structure of (2-amino-7-methyl-4-oxido­pteridine-6-carboxyl­ato-κ(3) O (4),N (5),O (6))aqua­(1,10-phenanthroline-κ(2) N,N′)copper(II) trihydrate

In the title compound, [Cu(C(8)H(5)N(5)O(3))(C(12)H(8)N(2))(H(2)O)]·3H(2)O, the Cu(II) cation is O,N,O′-chelated by the 2-amino-7-methyl-4-oxidopteridine-6-carboxyl­ate anion and N,N′-chelated by the 1,10-phenanthroline (phen) ligand. A water mol­ecule further coordinates to the Cu(II) cation to com...

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Detalles Bibliográficos
Autores principales: Baisya, Siddhartha S., Roy, Parag S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257256/
https://www.ncbi.nlm.nih.gov/pubmed/25484742
http://dx.doi.org/10.1107/S1600536814022302
Descripción
Sumario:In the title compound, [Cu(C(8)H(5)N(5)O(3))(C(12)H(8)N(2))(H(2)O)]·3H(2)O, the Cu(II) cation is O,N,O′-chelated by the 2-amino-7-methyl-4-oxidopteridine-6-carboxyl­ate anion and N,N′-chelated by the 1,10-phenanthroline (phen) ligand. A water mol­ecule further coordinates to the Cu(II) cation to complete the elongated distorted octa­hedral coordination geometry. In the mol­ecule, the pteridine ring system is essentially planar [maximum deviation = 0.055 (4) Å], and its mean plane is nearly perpendicular to the phen ring system [dihedral angle = 85.97 (3)°]. In the crystal, N—H⋯O, O—H⋯N and O—H⋯·O hydrogen bonds, as well as weak C—H⋯O hydrogen bonds and C—H⋯π inter­actions, link the complex mol­ecules and lattice water mol­ecules into a three-dimensional supra­molecular architecture. Extensive π–π stacking between nearly parallel aromatic rings of adjacent mol­ecules are also observed, the centroid-to-centroid distances being 3.352 (2), 3.546 (3), 3.706 (3) and 3.744 (3) Å.