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PM3 semiempirical study and its comparison with X-ray crystal structure of 4-[2-methyl-4-(4-methoxyphenylazo)] phenoxyphtalonitrile
(Springer/Plenum Publishers, 2006)
The molecular and crystal structures of the title compound, C22H16N4O2, were determined by single crystal X-ray diffraction technique. The title compound crystallizes in monoclinic space group P1 2 (1) /n1, with a=12.7811(9) ...