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, 2C(10)H(15)N(5)O(4) .0.5H(2)O, 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.