N-(2-Amino-1,6-dihydro-5-nitroso-6-oxopyrimidin-4-yl)-L-isoleucine-water (4/1): interplay of molecular and supramolecular structures.

In the title compound, 2C10H15N5O4-0.5H2O, there are two independent molecules of the pyrimidinylisoleucine in general positions and a water molecule lying on a twofold rotation axis. The bond lengths within the organic moieties demonstrate significant polarization of the electronic structure. Each of the organic molecules participates in 12 intermolecular hydrogen bonds, of O-H...O and N-H...O types, while the water molecule acts as a double donor and as a double acceptor of O-H...O hydrogen bonds. The organic components are linked by the hydrogen bonds into a single three-dimensional framework, reinforced by the water molecules.