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

Crystal analysis by A. Chandrasekaran for Yi Liao.

This molecule made obtained by Yi Liao as a byproduct in a reaction intended to make a triphenolic triradical precursor.  It is a convenient biradical precursor, which gives a strong ESR triplet signal upon solution oxidation followed by freezing at 77 K.

Crystallographically, there are pi-stacks formed by both s-triazine to dimethylamino  interactions and phenyl to tert-butyl interactions.  These assist the packing of the molecule in sheets.  The molecule itself is flat, apparently due to favorable interactions between aryl C-H and triazine nitrogen lone pairs.


Structural Manipulations

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...Single Molecule ...NMe2 -- triazine stack
...Inversion Center ...Tert-butyl -- aryl interactions
...Full Lattice  
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See also the Lahti group WWW page for further crystal data.
CIF-derived Tables of crystallographic data
Download CIF file for this molecule
 
Download Mercury file for this molecule

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