Ethyl 5-{[(E)-2-(isonicotinoyl)hydrazinylidene]methyl}-3,4-dimethyl-1H-pyrrole-2-carboxylate dihydrate

In the title compound, C16H18N4O3·2H2O, the dihedral angle between the pyrrole and pyridine rings in the hydrazone molecule is 7.12 (3)°. In the crystal structure, intermolecular N—H...O, O—H...N and O—H...O hydrogen bonds link the hydrazone...

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Published in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2011-06, Vol.67 (6), p.o1413-o1413
Main Authors: Zhao-Po Zhang, Yuan Wang, Ming-Jia Lu, Lei-Wei Jia, Hong-Chang Qiao
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container_title Acta crystallographica. Section E, Structure reports online
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Yuan Wang
Ming-Jia Lu
Lei-Wei Jia
Hong-Chang Qiao
description In the title compound, C16H18N4O3·2H2O, the dihedral angle between the pyrrole and pyridine rings in the hydrazone molecule is 7.12 (3)°. In the crystal structure, intermolecular N—H...O, O—H...N and O—H...O hydrogen bonds link the hydrazone and water molecules into double layers parallel to (101). The crystal packing exhibits weak π–π interactions between the pyrrole and pyridine rings of neighbouring hydrazone molecules [centroid–centroid distance = 3.777 (3) Å]. The crystal studied was a non-merohedral twin, the refined ratio of twin domains being 0.73 (3):0.27 (3).
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title Ethyl 5-{[(E)-2-(isonicotinoyl)hydrazinylidene]methyl}-3,4-dimethyl-1H-pyrrole-2-carboxylate dihydrate
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