Abstract
The title compound is monoclinic:a=13.345(3),b=11.393(2),c=10.046(5)Å,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.
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Davies, J.M.R., Hamerton, I., Jones, J.R. et al. Structure of 2,2′-bis(4-cyanatophenyl)isopropylidene. Journal of Crystallographic and Spectroscopic Research 20, 285–289 (1990). https://doi.org/10.1007/BF01187255
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DOI: https://doi.org/10.1007/BF01187255