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N'-[(E)-(3-Fluoro-pyridin-2-yl)methyl-idene]pyridine-3-carbohydrazide dihydrate.

ABSTRACT: The organic molecule in the title dihydrate, C12H9FN4O·2H2O, exists in the E conformation with respect to the azo-methane C=N double bond. The mol-ecule is approximately planar, with a maximum deviation of 0.117?(1)?Å for the carbonyl O atom from the mean plane of the mol-ecule. Both pyridine rings are essentially coplanar with the central C(=O)N2C 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 inter-actions, which lead to the formation of a chain along the c-axis direction through one of the water mol-ecules present, and these chains are stacked one over the other by means of ?-? inter-actions [with centroid-centroid distances of 3.7099?(10) and 3.6322?(10)?Å] between the aromatic rings in neighbouring anti-parallel mol-ecules, building a three-dimensional supra-molecular network.

SUBMITTER: Nair Y 

PROVIDER: S-EPMC3998601 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature

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N'-[(E)-(3-Fluoro-pyridin-2-yl)methyl-idene]pyridine-3-carbohydrazide dihydrate.

Nair Yamuna Y   Sithambaresan M M   Nair S Muraleedharan SM   Kurup M R Prathapachandra MR  

Acta crystallographica. Section E, Structure reports online 20140326 Pt 4

The organic molecule in the title dihydrate, C12H9FN4O·2H2O, exists in the E conformation with respect to the azo-methane C=N double bond. The mol-ecule is approximately planar, with a maximum deviation of 0.117 (1) Å for the carbonyl O atom from the mean plane of the mol-ecule. Both pyridine rings are essentially coplanar with the central C(=O)N2C unit [dihedral angles = 1.99 (7) and 5.71 (8)°], exhibiting a significant difference in dihedral angles from its benzohydrazide analogue. The crystal  ...[more]

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