2,4,6-Tris(3',5'-Di-tert-butyl-4'-hydroxyphenyl)-s-triazine

Crystal analysis by A. Chandrasekaran for Yi Liao.

This molecule made obtained by Yi Liao as a triphenolic triradical precursor.  It gives a strong ESR  signal upon solution oxidation followed by freezing at 77 K.  The high symmetry of the triradical that is formed gives only narrow zero field splitting, but the resultant spectrum is consistent with quartet state formation.

The molecule is flat, apparently due to favorable interactions between aryl C-H and triazine nitrogen lone pairs.  Crystallographically, the molecule is packed parallel, with close intermolecular contacts forming only between the tert-butyl groups and aryl rings.


Structural Manipulations

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See also the Lahti group WWW page for further crystal data.
Tables of crystallographic data
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