Acta Crystallographica Section E (Jul 2012)

4-(Prop-2-yn-1-yloxy)benzene-1,2-dicarbonitrile

  • Yee Jan Chin,
  • Ai Ling Tan,
  • Franz L. Wimmer,
  • Aminul Huq Mirza,
  • David J. Young,
  • Seik Weng Ng,
  • Edward R. T. Tiekink

DOI
https://doi.org/10.1107/S1600536812028309
Journal volume & issue
Vol. 68, no. 7
pp. o2293 – o2294

Abstract

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In the title compound, C11H6N2O, the complete molecule is generated by the application of crystallographic twofold symmetry (the molecule is disordered about this axis). The prop-2-yn-1-yl residue is slightly twisted out of the plane of the benzene ring [C—O—C—C torsion angle = 173.1 (3)°] and is orientated away from the nitrile substituents. In the crystal, supramolecular chains along the a axis, arising from C—H...N interactions, are connected into stacks along the c axis by π–π interactions between the benzene rings [centroid–centroid distance = 3.6978 (6) Å = length of the c axis].