Crystal structure of bis-Isonicotinoyl hydrazone of 2,5-diformylpyrrole
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- Popov, L.D., Levchenkov, S.I., Shcherbakov, I.N. et al. J Struct Chem (2013) 54: 592. doi:10.1134/S0022476613030190
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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.