4-(1-(1,2,4-Triazolyl))-phenyl-tert-butylnitroxide

Crystal analysis by A. Chandrasekaran and Lora M. Field.

This molecule was synthesized  by Lora M. Field, who also carried out the magnetic susceptibility studies.

Crystallographically, the molecule forms hydrogen-bonded chains through aryl C-H to triazole nitrogen associations.  The chain formations are further assisted by herringbone interactions between aryl C-H and phenyl rings of chain-linked radicals.  There are two crystallographically distinct molecules in the unit cell, one with more aryl-triazole twisting than the other.  This allows the herringbone interactions to form as part of the hydrogen-bonded chains.


Structural Manipulations

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...Single Molecule ...NO -- HC Contacts
...Herringbone interactions ...NO -- HC Contacts
...Full Lattice ...Spin Lattice
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See also the Lahti group WWW page for further crystal data.
CIF-derived Tables of crystallographic data for this molecule
Download CIF file for this molecule
 
Download Mercury file for this molecule

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