Abstract
The organic molecule in the title dihydrate, C12H9FN4O·2H2O, 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)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 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.
Highlights
The organic molecule in the title dihydrate, C12H9FN4O2H2O, exists in the E conformation with respect to the azomethane
Atom from the mean plane of the molecule. Both pyridine rings are essentially coplanar with the central C( O)N2C unit
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 – interactions [with centroid–centroid distances of 3.7099 (10) and 3.6322 (10) Å]
Summary
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)N2C unit [dihedral angles = 1.99 (7) and 5.71 (8) ], exhibiting a significant difference in dihedral angles from its benzohydrazide analogue. 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 – 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
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
