R4/4 (30) rectangular rings in 2,5-dioxopiperazine-1,4-diacetic acid.
Molecules of the title 2,5-dioxopiperazinedione derivative, C(8)H(10)N(2)O(6), 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 R(4)(4)(30) rings.
Ramos Silva
Manuela
M
CEMDRX, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade de Coimbra, P-3004-516 Coimbra, Portugal. manuela@pollux.fis.uc.pt
Matos Beja
Ana
A
Paixão
Jose Antonio
JA
Sobral
Abilio J F N
AJ
Cabral
Lucia M L
LM
Rocha Gonsalves
A M d'A
AM