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N′-[(E)-(3-Fluoropyridin-2-yl)methylidene]pyridine-3-carbohydrazide dihydrate
The organic molecule in the title dihydrate, C(12)H(9)FN(4)O·2H(2)O, exists in the E conformation with respect to the azomethane C=N double bond. The molecule is approximately planar, with a maximum deviation of 0.117 (1) Å for the carbonyl O atom from the mean plane of the molecule. Both pyridin...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998601/ https://www.ncbi.nlm.nih.gov/pubmed/24826177 http://dx.doi.org/10.1107/S1600536814006072 |
Sumario: | The organic molecule in the title dihydrate, C(12)H(9)FN(4)O·2H(2)O, exists in the E conformation with respect to the azomethane C=N double bond. The molecule is approximately planar, with a maximum deviation of 0.117 (1) Å for the carbonyl O atom from the mean plane of the molecule. Both pyridine rings are essentially coplanar with the central C(=O)N(2)C unit [dihedral angles = 1.99 (7) and 5.71 (8)°], exhibiting a significant difference in dihedral angles from its benzohydrazide analogue. The crystal packing features N—H⋯O, O—H⋯N and O—H⋯O hydrogen-bond interactions, which lead to the formation of a chain along the c-axis direction through one of the water molecules present, and these chains are stacked one over the other by means of π–π interactions [with centroid–centroid distances of 3.7099 (10) and 3.6322 (10) Å] between the aromatic rings in neighbouring antiparallel molecules, building a three-dimensional supramolecular network. |
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