Literature DB >> 14532671

R4/4 (30) rectangular rings in 2,5-dioxopiperazine-1,4-diacetic acid.

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


  2 in total

1.  2-Ethyl 4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxyl-ate.

Authors:  Gui-Fen Lu; Min Zhu; Wei-Hua Zhu; Zhong-Ping Ou
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2012-01-21

2.  Dimethyl 3,5-diethyl-1H-pyrrole-2,4-dicarboxyl-ate.

Authors:  Gui-Fen Lu; Wen-Sheng Lin; Wei-Hua Zhu; Zhong-Ping Ou
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2011-07-23
  2 in total

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