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

Article abstract of DOI:10.1007/BF01187255

The title compound is monoclinic: a = 13.345(3), b = 11.393(2), c = 10.046(5) Angstroem, β = 108.48(2) deg, Z = 4, P2₁/c.The structure was determined by direct methods, using MoKα diffractometer data, and refined by full-matrix least squares to R = 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-dimethylphenyl cyanate, the only example of an organic cyanate in the Cambridge Crystallographic data-base (V.3).The intermolecular nitrile, C-H, distances were examined for evidence of a possible dimerization interaction; no significant distances were found.