R(30) rectangular rings in 2,5-dioxopiperazine-1,4-diacetic acid
Abstract
Molecules of the title 2,5-dioxopiperazinedione derivative, C8H10N2O6, occupy centres of symmetry in the crystal structure. The six-membered ring has an almost planar conformation, with the substituent on nitrogen nearly perpendicular to the ring. The ideal geometry of the isolated molecule, as determined by ab initio HF–LCAO quantum-mechanical calculations, is slightly more puckered than that observed in the solid state. In the crystal structure, a strong hydrogen bond joins neighbouring molecules, thus forming a network of rectangular (30) rings.