Abstract
The structure of the title compound (I) was determined by direct methods using MoKα diffractometer data, and refined by full-matrix least squares toR=0.066 for 1536 reflections (I≥3σ (I)). The structure shows a central tetrahedral carbon atom surrounded by two methyl and two 3-allyl-4-cyanatophenyl groups. The geometry of the cyanato group in this molecule compares well with those in 2,2′-bis(4-cyanatophenyl)isopropylideneII) and 4-chloro-3,5-dimethyl-phenylcyanate (III), the only other examples of organic compounds bearing the cyanato moiety in the Cambridge Crystallographic Database (V.3).
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Hamerton, I., Jones, J.R., Povey, D.C. et al. Structure of 2,2′-bis(3-allyl-4-cyanatophenyl)isopropylidene. Journal of Crystallographic and Spectroscopic Research 22, 101–108 (1992). https://doi.org/10.1007/BF01161371
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DOI: https://doi.org/10.1007/BF01161371