1-(4-(N-Tert-butyl-N-aminoxyl)phenyl)pyrrole

Crystal analysis by Zeynep Delen, assisted by Dr. Peter Khalifah.

This molecule made by Zeynep Delen to investigate the effect of pyrrole (heterocycle) substitution on the
molecular magnetism and spin delocalization for a conjugated nitroxide. The system shows crystallographic
chains, and quite weak AFM interactions in the solid state. There is little spin density on the pyrrole ring,
based on computations and ESR spectral studies.

Structural Manipulations

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

CIF-derived Tables of crystallographic data
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Download Mercury file for this molecule

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