Date Published: July 01, 2012
Publisher: International Union of Crystallography
Author(s): Yee Jan Chin, Ai Ling Tan, Franz L. Wimmer, Aminul Huq Mirza, David J. Young, Seik Weng Ng, Edward R. T. Tiekink.
http://doi.org/10.1107/S1600536812028309
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].
Partial Text
For the solubilization and some applications of phthanocyanine dyes, see: Jiang et al. (2011 ▶); Sleven et al. (2001 ▶). For the synthesis of substituted phthalonitriles, see: Wöhrle et al. (1993 ▶); Wu et al. (1998 ▶); Li & Lieberman (2001 ▶); Sleven et al. (2001 ▶); Li et al. (2008 ▶); Seven et al. (2009 ▶); Foo et al. (2012 ▶).
Source:
http://doi.org/10.1107/S1600536812028309