title: Crystal structure of (2-amino-7-methyl-4-oxido-pteridine-6-carboxyl-ato-κ(3) O (4),N (5),O (6))aqua-(1,10-phenanthroline-κ(2) N,N')copper(II) trihydrate.
abstract: In the title compound, [Cu(C8H5N5O3)(C12H8N2)(H2O)]·3H2O, the Cu(II) cation is O,N,O'-chelated by the 2-amino-7-methyl-4-oxidopteridine-6-carboxyl-ate anion and N,N'-chelated by the 1,10-phenanthroline (phen) ligand. A water mol-ecule further coordinates to the Cu(II) cation to complete the elongated distorted octa-hedral coordination geometry. In the mol-ecule, 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 inter-actions, link the complex mol-ecules and lattice water mol-ecules into a three-dimensional supra-molecular architecture. Extensive π-π stacking between nearly parallel aromatic rings of adjacent mol-ecules are also observed, the centroid-to-centroid distances being 3.352 (2), 3.546 (3), 3.706 (3) and 3.744 (3) Å.
authors.affiliation: Department of Chemistry, University of North Bengal, Siliguri 734 013, India.
authors.forename: Siddhartha S
authors.initials: SS
authors.lastname: Baisya
authors.affiliation: Department of Chemistry, University of North Bengal, Siliguri 734 013, India.
authors.forename: Parag S
authors.initials: PS
authors.lastname: Roy
keywords: copper; crystal structure; pterin; π–π stacking