P. Sutton, V. Cody
Dec 1, 1988
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Influential Citations
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Journal
Journal of Crystallographic and Spectroscopic Research
Abstract
The 5-hexyl (I) and the 5-heptyl (II) analogs of 2,4-diamino-6-methylpyrimidine both crystallize in the space groupP21/c withZ=4. Unit cell parameters of I are C11H20N4·H2O,a=17.204(3),b=4.609(9),c=16.765(2)Å,β= 91.53(2)°; those of II are C12H23N4+·C2H5SO3−,a=12.489(1),b=16.702(2),c=8.9558(7)Å,β=99.208(8)°. The molecular packing of I contains one water, while II forms a salt with ethanesulfonic acid. The alkyl chain of I adopts an alltrans conformation; in contrast, II has onegauche orientation between carbons 2 and 3 of heptyl. These are the first structural data on two alkyl lipophilic antifolates with antineoplastic activity.