Crystal Structure of 2-methylthio-8-azaxanthine

Id2015497
Common name2-methylthio-8-azaxanthine
Chemical name5-Methylsulfanyl-6,7-dihydro-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(8H)-one monohydrate
a (Å)17.1216(12)
b (Å)7.3269(5)
c (Å)14.3494(10)
α (°)90.00
β (°)113.2590(10)
γ (°)90.00
V (Å3)1653.8(2)
Space groupC 1 2/c 1
Temperature (K)100(2)
Rint0.059
Publication: Acta Crystallographica Section C (2006) 62, 8 o489-o491