R_ {\ bf 4}^{\ bf 4}(30) rectangular rings in 2, 5-dioxopiperazine-1, 4-diacetic acid

M Ramos Silva, A Matos Beja, JA Paixao…

Index: Silva, Manuela Ramos; Beja, Ana Matos; Paixao, Jose Antonio; Sobral, Abilio J.F.N.; Cabral, Lucia M.L.; Rocha Gonsalves Acta Crystallographica Section C: Crystal Structure Communications, 2003 , vol. 59, # 10 p. o562-o563

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Citation Number: 4

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 ...