Structure of 2,2?-bis(4-cyanatophenyl)isopropylidene

Abstract

The title compound is monoclinic:a=13.345(3),b=11.393(2),c=10.046(5)A,β=108.48(2)°,Z=4,P21/c. The structure was determined by direct methods, using MoKα diffractometer data, and refined by full-matrix least squares toR=0.045 for 1463 reflections. The structure shows a central tetrahedral carbon atom surrounded by two methyl and two phenylcyanate groups. The geometry of the cyanate group compares well with that in 4-chloro-3,5-dimethyl-phenyl cyanate, the only example of an organic cyanate in the Cambridge Crystallographic database (V.3). The intermolecular nitrile, C-N, distances were examined for evidence of a possible dimerization interaction; no significant distances were found.