Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 7 (July 2013)


organic compounds



hg5321 scheme

Acta Cryst. (2013). E69, o1074    [ doi:10.1107/S1600536813015663 ]

3-(Prop-2-yn-1-yloxy)phthalonitrile

C. Y. Jan, N. B. H. Shamsudin, A. L. Tan, D. J. Young and E. R. T. Tiekink

Abstract: In the title compound, C11H6N2O {systematic name: 3-(prop-2-yn-1-yloxy)benzene-1,2-dicarbonitrile}, the 14 non-H atoms are approximately coplanar (r.m.s. deviation = 0.051 Å) with the terminal ethyne group being syn with the adjacent cyano residue. In the crystal, centrosymmetric dimers are connected by pairs of C-H...N interactions and these are linked into a supramolecular tape parallel to (1-30) via C-H...N interactions involving the same N atom as acceptor.


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