Abstract
Crystal and molecular structures of 6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisocarbostyril azine (I) were determined using X-ray diffraction analysis and IR and electronic absorption spectroscopy. Compound Iwas found to exist in the form of an azine isomer, in which the N=C double bonds are located outside the tetrahydroisoquinoline fragments, while the H atoms migrate toward the N(1) atoms of these moieties. Model quantum-chemical calculations were performed.
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Sokol, V.I., Davydov, V.V., Merkur'eva, N.Y. et al. Crystal Structure and Spectra of 6,7-Dimethoxy-3,3-Dimethyl-3,4-Dihydroisocarbostyril Azine. Russian Journal of Coordination Chemistry 27, 214–219 (2001). https://doi.org/10.1023/A:1009562615381
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DOI: https://doi.org/10.1023/A:1009562615381