5-[2,4-Dihydroxy-5-(5-hydroxy-2,4,6-trioxo-3,5-dihydro-1H-pyrimidin-5-yl)-3-methoxyphenyl]-5-hydroxy-3,5-dihydro-1H-pyrimidine-2,4,6-trione pentahydrate

Abstract

The title compound, C15H12N4O11·5H2O, has a `propeller-like' structure. The two alloxan units have screw-boat conformations. Their mean planes are normal to the central aromatic ring with dihedral angles of 87.91 (7) and 88.27 (7)°, and they are inclined to one another by 40.86 (7)°. In the crystal, molecules are linked via O—H...O and N—H...O hydrogen bonds, forming a three-dimensional framework. There are also C—H...O hydrogen bonds present within the framework.

Keywords

• crystal structure
• ion-pair recognition
• alloxan
• vasarene analogues
• supramolecular ligand
• hydrogen bonding
• three-dimensional supramolecular structure