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

ABSTRACT: The structure of the title compound, pentoxifylline, C(13)H(18)N(4)O(3), has been previously characterized as a triclinic polymorph [Pavel?ík 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.

SUBMITTER: Stepanovs D

PROVIDER: S-EPMC3247589 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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

Stepanovs Dmitrijs D Mishnev Anatoly A

Acta crystallographica. Section E, Structure reports online 20111005 Pt 11

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. ...[more]

PMID: 22219894

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