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

Abstract

In a hydrated copper(II) complex, 2-amino-7-methyl-4-oxidopteridine-6-carboxyl­ate and 1,10-phenanthroline ligands chelate the Cu ^II cation while a water mol­ecule further coordinates to the Cu ^II cation to complete the elongated distorted octa­hedral coordination geometry.

Abstract

In the title compound, [Cu(C ₈H ₅N ₅O ₃)(C ₁₂H ₈N ₂)(H ₂O)]·3H ₂O, 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.