Crystal and molecular structure of potassium 2-amino-6-sulfinato-purine monohydrate
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- Horn, E. & Tiekink, E.R.T. J Chem Crystallogr (1995) 25: 459. doi:10.1007/BF01665701
The crystal and molecular structure of the title compound, K[C5H4N5O2S]H2O, has been determined at room temperature. The structure determination reveals that the negative charge on the anion is localised on the sulfinate group which results in significant rearrangement of π-electron density within the purine ring. The K+ cation exists in a N3O4 donor set which defines a distorted trigonal prismatic geometry. Crystals of K[C5H4N5O2S]H2O are triclinic with space group\(P\bar 1\) and unit cell dimensionsa=8.248(2),b=8.710(2),c=6.988(6) Å, α=99.87(4), β=102.84(5), and γ=78.35(2)°,Z=2.