Acta Crystallographica Section C

Crystal Structure Communications

Volume 68, Part 12 (December 2012)


organic compounds



yf3019 scheme

Acta Cryst. (2012). C68, o488-o491    [ doi:10.1107/S0108270112045866 ]

Multicomponent pharmaceutical cocrystals: furosemide and pentoxifylline

D. Stepanovs and A. Mishnev

Abstract: The combination of the active pharmaceutical ingredients furosemide [4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid] and pentoxifylline [3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione] produces a 1:1 cocrystal, C12H11ClN2O5S·C13H18N4O3, (I), a 1:1 cocrystal hydrate, C12H11ClN2O5S·C13H18N4O3·H2O, (II), and a 1:1 cocrystal acetone solvate, C12H11ClN2O5S·C13H18N4O3·C2H6O, (III). These structures exhibit the presence of a rarely encountered synthon with the graph set R22(7). All potential hydrogen-bond donors of furosemide participate in hydrogen-bond formation in (I)-(III). However, only two hydrogen-bond acceptors of furosemide are active in (I) and (II), and only one is active in (III). Four hydrogen-bond acceptors of pentoxifylline are active in (II), three in (I) and two in (III). These observations are in good agreement with the calculated packing indexes of 69.5, 69.6 and 68.8% for (II), (I) and (III), respectively.

Formula: C12H11ClN2O5S·C13H18N4O3, C12H11ClN2O5S·C13H18N4O3·H2O and C12H11ClN2O5S·C13H18N4O3·C2H6O


hkldisplay filedownload file

Structure factor file (CIF format) (300.2 kbytes)
[ doi:10.1107/S0108270112045866/yf3019Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (314.6 kbytes)
[ doi:10.1107/S0108270112045866/yf3019IIsup3.hkl ]
Contains datablock II


hkldisplay filedownload file

Structure factor file (CIF format) (344.7 kbytes)
[ doi:10.1107/S0108270112045866/yf3019IIIsup4.hkl ]
Contains datablock III


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