Volume 59, Issue 10 pp. o562-o563

R(30) rectangular rings in 2,5-dioxopiperazine-1,4-di­acetic acid

First published: 09 June 2004
Citations: 1
Manuela Ramos Silva, e-mail: [email protected]

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.

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