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Acta Crystallogr Sect E Struct Rep Online
; 68(Pt 7): o2293-4, 2012 Jul 01.
Article
in English
| MEDLINE
| ID: mdl-22798935
ABSTRACT
In the title compound, C(11)H(6)N(2)O, the complete mol-ecule is generated by the application of crystallographic twofold symmetry (the mol-ecule 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 = 173.1â (3)°] and is orientated away from the nitrile substituents. In the crystal, supra-molecular chains along the a axis, arising from C-Hâ¯N inter-actions, are connected into stacks along the c axis by π-π inter-actions between the benzene rings [centroid-centroid distance = 3.6978â (6)â Å = length of the c axis].