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

Acta Crystallographica Section E Structure Reports 2011
Dmitrijs Stepanovs, Anatolijs Mišņovs

The structure of the title compound, pentoxifylline, C13H18N4O3, has been previously characterized as a triclinic polymorph [Pavelcik 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

Keywords
Single-crystal X-ray study; T = 190 K; mean sigma(C–C) = 0.004 A ̊; R factor = 0.066; wR factor = 0.163; data-to-parameter ratio = 16.7.
DOI
10.1107/S1600536811040232
Hyperlink
http://journals.iucr.org/e/issues/2011/11/00/tk2793/tk2793.pdf

Stepanovs, D., Mišņovs, A. Monoclinic Polymorph of 3,7-dimethyl-1- (5-oxohexyl)-3,7-dihydro-1H-purine-2,6- dione. Acta Crystallographica Section E Structure Reports, 2011, E67, pp.2851-2851. e-ISSN 1600-5368. Available from: doi:10.1107/S1600536811040232

Publication language
English (en)