Experimental Crystal data

disorder in main residue; R factor = 0.059; wR factor = 0.163; data-to-parameter ratio = 13.0. 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 – interactions between the benzene rings [centroid–centroid distance = 3.6978 (6) A ̊ = length of the c axis]. Related literature For the solubilization and some applications of phthanocya