The Magnetic Properties of Verdazyl Free Radicals. VIII. The Crystal Structure of 1,3,5-Tri-p-tolylverdazyl Radical

Autor: Azuma, Nagao, Deguchi, Yasuo, Marumo, Fumiyuki, Saito, Yoshihiko
Zdroj: Bulletin of the Chemical Society of Japan; March 1975, Vol. 48 Issue: 3 p819-824, 6p
Abstrakt: The crystal structure of 1,3,5-tri-p-tolylverdazyl has been determined by X-ray diffraction. The crystals are monoclinic, with the space group of P21/m and with a=8.173(3), b=20.23(1), c=6.075(2) Å, β=105.4(1)°, and Z=2. The structure was deduced from the sharpened Patterson synthesis and refined by the block-diagonal least-squares method to the final Rvalue of 0.048 for the 1212 non-zero reflections collected by the counter-method. The sym-tetrazinyl ring has an asymmetrical boat form. The molecules are arranged approximately parallel to the (20\bar1) plane. The maximum intermolecular overlap is observed between the sym-tetrazinyl and C-tolyl groups, suggesting a weak exchange interaction between unpaired electrons.
Databáze: Supplemental Index