Structure of enprofylline: 3,7-dihydro-3-propyl-1H-purine 2,6-dione

Abstract

Abstract. CsHIoN402, M r = 194.19, monoclinic, P2~/c, a=15.11(1), b= 13.606(3), c=19.877 (6) A, fl= 111.92 (3) °, V= 3791 (3) A 3, Z = 16, D m = 1.38, D x = 1.36 g cm -3, 2(Cu K~t) = 1.5418 A, /t = 8.65 cm -1, F(000) --1632, T= 295 K. R = 0.079 for 1671 observed reflections. The four independent molecules show no significant differences. The molecules are planar except for the -CH2CH 3 part of the propyl groups. The molecules are stacked in layers, two adjacent enprofylline layers being separated by a layer with disordered -CHzCH 3 groups. Molecules within a layer are connected by hydrogen bonds.