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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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
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author Gelbrich, Thomas
Rossi, Denise
Griesser, Ulrich J.
author_facet Gelbrich, Thomas
Rossi, Denise
Griesser, Ulrich J.
author_sort Gelbrich, Thomas
collection PubMed
description 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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spelling pubmed-32545672012-01-18 Tetra­gonal polymorph of 5,5-dichloro­barbituric acid Gelbrich, Thomas Rossi, Denise Griesser, Ulrich J. Acta Crystallogr Sect E Struct Rep Online Organic Papers 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]. International Union of Crystallography 2011-12-23 /pmc/articles/PMC3254567/ /pubmed/22259517 http://dx.doi.org/10.1107/S1600536811054626 Text en © Gelbrich et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Gelbrich, Thomas
Rossi, Denise
Griesser, Ulrich J.
Tetra­gonal polymorph of 5,5-dichloro­barbituric acid
title Tetra­gonal polymorph of 5,5-dichloro­barbituric acid
title_full Tetra­gonal polymorph of 5,5-dichloro­barbituric acid
title_fullStr Tetra­gonal polymorph of 5,5-dichloro­barbituric acid
title_full_unstemmed Tetra­gonal polymorph of 5,5-dichloro­barbituric acid
title_short Tetra­gonal polymorph of 5,5-dichloro­barbituric acid
title_sort tetra­gonal polymorph of 5,5-dichloro­barbituric acid
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254567/
https://www.ncbi.nlm.nih.gov/pubmed/22259517
http://dx.doi.org/10.1107/S1600536811054626
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AT rossidenise tetragonalpolymorphof55dichlorobarbituricacid
AT griesserulrichj tetragonalpolymorphof55dichlorobarbituricacid

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