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. 2013 Jun 12;69(Pt 7):o1074.
doi: 10.1107/S1600536813015663. eCollection 2013.

3-(Prop-2-yn-1-yl-oxy)phthalo-nitrile

Chin Yee Jan  1 , Norzianah Binti Haji Shamsudin, Ai Ling Tan, David J Young, Edward R T Tiekink
Affiliations

3-(Prop-2-yn-1-yl-oxy)phthalo-nitrile

Chin Yee Jan et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title compound, C11H6N2O {systematic name: 3-(prop-2-yn-1-yl-oxy)benzene-1,2-dicarbo-nitrile}, 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 inter-actions and these are linked into a supra-molecular tape parallel to (1-30) via C-H⋯N inter-actions involving the same N atom as acceptor.

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Figures

Fig. 1.
Fig. 1.
The molecular structure of (I) showing the atom-labelling scheme and displacement ellipsoids at the 50% probability level.
Fig. 2.
Fig. 2.
A view of the unit-cell contents of (I) in projection down the a axis. The C—H···N hydrogen bonds are shown as blue dashed lines.
See this image and copyright information in PMC

References

    1. Brandenburg, K. (2006). DIAMOND Crystal Impact GbR, Bonn, Germany.
    1. Bruker (2011). APEX2 and SAINT Bruker AXS Inc., Madison, Wisconsin, USA.
    1. Chin, Y. J., Tan, A. L., Wimmer, F. L., Mirza, A. H., Young, D. J., Ng, S. W. & Tiekink, E. R. T. (2012). Acta Cryst. E68, o2293–o2294. - PMC - PubMed
    1. Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849–854.
    1. Seven, O., Dindar, B. & Gultekin, B. (2009). Turk. J. Chem. 33, 123–134.