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Crystal structure of bis-Isonicotinoyl hydrazone of 2,5-diformylpyrrole

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bis-Isonicotinoyl hydrazone of 2,5-diformylpyrrole existing in the crystal in the form of a tetrahydrate of the hydrazone tautomeric form is synthesized and its structure is described. In the crystal, an infinite three-dimensional network of hydrogen bonds is formed by hydrazone molecules. The neighboring hydrazone molecules are bonded by intermolecular π stacking interactions. A quantum chemical calculation of the geometry and total energy of possible tautomers in vacuum and an aqueous solution is performed.

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Correspondence to L. D. Popov.

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Original Russian Text Copyright © 2013 by L. D. Popov, S. I. Levchenkov, I. N. Shcherbakov, M. A. Kiskin, N. E. Borisova, A. A. Tsaturyan, V. A. Kogan


Translated from Zhurnal Strukturnoi Khimii, Vol. 54, No. 3, pp. 538–543, May–June, 2013.

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Popov, L.D., Levchenkov, S.I., Shcherbakov, I.N. et al. Crystal structure of bis-Isonicotinoyl hydrazone of 2,5-diformylpyrrole. J Struct Chem 54, 592–597 (2013).

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