2,2′-Dimethyl-2,2′-(m-phenylenedimethylene)propanedinitrile

Junmei Zhao, Volker Böhmer, Michael Bolte
2009 Acta Crystallographica Section E  
Key indicators: single-crystal X-ray study; T = 173 K; mean (C-C) = 0.002 Å; R factor = 0.037; wR factor = 0.101; data-to-parameter ratio = 15.0. The title compound, C 16 H 14 N 4 , features an aromatic ring with two 2,2 0 -dicyanopropyl residues in positions 1 and 3, which are located above and below the ring plane. The two residues differ in their conformation with respect to the aromatic ring: whereas one of the C methyl -C-C methylene -C aromatic torsion angles is gauche [68.93 (12) ], the
more » ... ther one is fully staggered [177.63 (9) ]. The crystal structure is stabilized by C-HÁ Á ÁN hydrogen-bonding interactions.
doi:10.1107/s1600536809023344 pmid:21582920 pmcid:PMC2969357 fatcat:vie5hnoin5dqpmbcppnil43hiy