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

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Abstract

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

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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). https://doi.org/10.1134/S0022476613030190

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  • DOI: https://doi.org/10.1134/S0022476613030190

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