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Author(s): Yee Jan Chin | Ai Ling Tan | Franz L. Wimmer | Aminul Huq Mirza | David J. Young | Seik Weng Ng | Edward R. T. Tiekink

Journal: Acta Crystallographica Section E
ISSN 1600-5368

Volume: 68;
Issue: 7;
Start page: o2293;
Date: 2012;
Original page

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].
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