Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 6 (June 2013)


organic compounds



lr2100 scheme

Acta Cryst. (2013). E69, o849    [ doi:10.1107/S1600536813010416 ]

(E)-9-(But-2-en-1-yl)-6-chloro-9H-purine

F. Lundvall, J. Kania and L.-L. Gundersen

Abstract: The asymmetric unit of the title compound, C9H9ClN4, contains two molecules. In the crystal, the molecules are ordered in a chain-like fashion along the a axis, and form layers offset relative to the C plane by approximately 30°. This ordering does not, however, appear to be directed by classical hydrogen bonding.The allylic side chains of both independent molecules are disordered, with occupancies of 0.870 (4) and 0.934 (3) for the major components. The disorder components represent two possible spatial orientations of the atoms around the C=C double bond.


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