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

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Abstract

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].

Original languageEnglish
Pages (from-to)o2293-o2294
Number of pages2
JournalActa Crystallographica Section E: Structure Reports Online
VolumeE68
Issue numberPart 7
DOIs
Publication statusPublished - 1 Jul 2012
Externally publishedYes

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    Chin, Y. J., Tan, A. L., Wimmer, F. L., Mirza, A. H., Young, D. J., Ng, S. W., & Tiekink, E. R. T. (2012). 4-(Prop-2-yn-1-yloxy)benzene-1,2-dicarbonitrile. Acta Crystallographica Section E: Structure Reports Online, E68(Part 7), o2293-o2294. https://doi.org/10.1107/S1600536812028309