Monoclinic polymorph of 3,7-dimethyl-1-(5-oxohex­yl)-3,7-dihydro-1H-purine-2,6-dione

The structure of the title compound, pentoxifylline, C(13)H(18)N(4)O(3), has been previously characterized as a triclinic polymorph [Pavelčík et al. (1989 ▶). Acta Cryst. C45, 836–837]. We have discovered the monoclinic form. There are no strong hydrogen bonds in the crystal structure, rather, moder...

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Detalles Bibliográficos
Autores principales: Stepanovs, Dmitrijs, Mishnev, Anatoly
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/PMC3247589/
https://www.ncbi.nlm.nih.gov/pubmed/22219894
http://dx.doi.org/10.1107/S1600536811040232
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author Stepanovs, Dmitrijs
Mishnev, Anatoly
author_facet Stepanovs, Dmitrijs
Mishnev, Anatoly
author_sort Stepanovs, Dmitrijs
collection PubMed
description The structure of the title compound, pentoxifylline, C(13)H(18)N(4)O(3), has been previously characterized as a triclinic polymorph [Pavelčík et al. (1989 ▶). Acta Cryst. C45, 836–837]. We have discovered the monoclinic form. There are no strong hydrogen bonds in the crystal structure, rather, moderate C—H⋯O hydrogen bonds are present, which serve to stabilize the three-dimensional architecture.
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spelling pubmed-32475892012-01-04 Monoclinic polymorph of 3,7-dimethyl-1-(5-oxohex­yl)-3,7-dihydro-1H-purine-2,6-dione Stepanovs, Dmitrijs Mishnev, Anatoly Acta Crystallogr Sect E Struct Rep Online Organic Papers The structure of the title compound, pentoxifylline, C(13)H(18)N(4)O(3), has been previously characterized as a triclinic polymorph [Pavelčík et al. (1989 ▶). Acta Cryst. C45, 836–837]. We have discovered the monoclinic form. There are no strong hydrogen bonds in the crystal structure, rather, moderate C—H⋯O hydrogen bonds are present, which serve to stabilize the three-dimensional architecture. International Union of Crystallography 2011-10-05 /pmc/articles/PMC3247589/ /pubmed/22219894 http://dx.doi.org/10.1107/S1600536811040232 Text en © Stepanovs and Mishnev 2011 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
Stepanovs, Dmitrijs
Mishnev, Anatoly
Monoclinic polymorph of 3,7-dimethyl-1-(5-oxohex­yl)-3,7-dihydro-1H-purine-2,6-dione
title Monoclinic polymorph of 3,7-dimethyl-1-(5-oxohex­yl)-3,7-dihydro-1H-purine-2,6-dione
title_full Monoclinic polymorph of 3,7-dimethyl-1-(5-oxohex­yl)-3,7-dihydro-1H-purine-2,6-dione
title_fullStr Monoclinic polymorph of 3,7-dimethyl-1-(5-oxohex­yl)-3,7-dihydro-1H-purine-2,6-dione
title_full_unstemmed Monoclinic polymorph of 3,7-dimethyl-1-(5-oxohex­yl)-3,7-dihydro-1H-purine-2,6-dione
title_short Monoclinic polymorph of 3,7-dimethyl-1-(5-oxohex­yl)-3,7-dihydro-1H-purine-2,6-dione
title_sort monoclinic polymorph of 3,7-dimethyl-1-(5-oxohex­yl)-3,7-dihydro-1h-purine-2,6-dione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247589/
https://www.ncbi.nlm.nih.gov/pubmed/22219894
http://dx.doi.org/10.1107/S1600536811040232
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