CRYSTAL STRUCTURE OF THE POLYCYCLIC OXIDATION PRODUCT OF 1'-PHTHALAZINYLHYDRAZONE OF 2-FORMYLPYRROLE
L. D. Popov1, S. I. Levchenkov2, I. N. Shcherbakov1, G. G. Aleksandrov3, Yu. P. Tupolova1, V. V. Lukov1, O. I. Askalepova1, V. A. Kogan1
1Faculty of Chemistry, Southern Federal University, Rostov-on-Don
physchem@yandex.ru
2Southern Scientific Center, Russian Academy of Sciences, Rostov-on-Don
3N. S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow
Keywords: hydrazones, single crystal X‑ray diffraction analysis, hydrogen bond, density functional theory
Abstract
Phthalazinylhydrazone of 2-formylpyrrole is synthesized, the values of ionization constants are determined, and quantum chemical calculation of the geometry and total energy of possible tautomers is performed. The structure of the cyclic oxidation product of hydrazone 3-(1H-pyrrolyl-2)-[1,2,4]-triazolo(3,4-a)phthalazine existing in the crystal in the form of dimers linked by two hydrogen bonds is described.
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