Tetra­gonal polymorph of 5,5-dichloro­barbituric acid

The tetra­gonal polymorph of 5,5-dichloro­barbituric acid (m.p. 478 K), C(4)H(2)Cl(2)N(2)O(3), forms an N—H⋯O hydrogen-bonded tape structure along [001]. Two tapes related by a twofold rotation axis are associated via Cl⋯O contacts [3.201 (1) Å], and four such chain pairs are arranged around a fourf...

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Detalles Bibliográficos
Autores principales: Gelbrich, Thomas, Rossi, Denise, Griesser, Ulrich J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254567/
https://www.ncbi.nlm.nih.gov/pubmed/22259517
http://dx.doi.org/10.1107/S1600536811054626
Descripción
Sumario:The tetra­gonal polymorph of 5,5-dichloro­barbituric acid (m.p. 478 K), C(4)H(2)Cl(2)N(2)O(3), forms an N—H⋯O hydrogen-bonded tape structure along [001]. Two tapes related by a twofold rotation axis are associated via Cl⋯O contacts [3.201 (1) Å], and four such chain pairs are arranged around a fourfold roto-inversion axis. The crystal structures of the monoclinic and ortho­rhom­bic polymorphs have been reported previously [Gelbrich et al. (2011 ▶). CrystEngComm, 13, 5502–5509].

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