| Literature DB >> 14532671 |
Manuela Ramos Silva1, Ana Matos Beja, Jose Antonio Paixão, Abilio J F N Sobral, Lucia M L Cabral, A M d'A Rocha Gonsalves.
Abstract
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.Entities:
Year: 2003 PMID: 14532671 DOI: 10.1107/s0108270103017803
Source DB: PubMed Journal: Acta Crystallogr C ISSN: 0108-2701 Impact factor: 1.172