Crystal structure of (2-amino-7-methyl-4-oxido-pteridine-6-carboxylato-k(3) O-4,N-5,O-6)aqua(1,10-phenanthroline-k(2)N,N')copper(II) trihydrate

In the title compound, [Cu(C8H5N5O3)(C12H8N2)(H2O)] center dot 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) angstrom], and its mean plane is nearly perpendicular to the phen ring system [dihedral angle = 85.97 (3)(circle)]. 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...pi interactions, link the complex molecules and lattice water molecules into a three-dimensional supramolecular architecture. Extensive pi-pi 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) angstrom.