4-Cyanobenzaldehyde isonicotinoylhydrazone monohydrate: a three-dimensional hydrogen-bonded framework structure

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Materials Science

Background:

• Understanding the intermolecular forces is crucial for predicting and controlling the properties of crystalline materials.
• Hydrogen bonding plays a pivotal role in the self-assembly of molecules and the formation of extended networks.

Purpose of the Study:

• To elucidate the detailed crystal structure of the title compound, C(14)H(10)N(4)O.H(2)O.
• To identify and characterize the hydrogen bonding interactions that stabilize the three-dimensional framework.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of the crystal structure involved identifying hydrogen bond donors and acceptors and measuring bond distances and angles.

Main Results:

• The title compound crystallizes as a hydrate, C(14)H(10)N(4)O.H(2)O.
• A three-dimensional framework is established through a network of hydrogen bonds.
• Key hydrogen bonds identified include O-H...O, O-H...N, and N-H...O interactions, with additional weak stabilization from C-H...O bonds.

Conclusions:

• The intricate hydrogen bonding network dictates the formation of a stable three-dimensional supramolecular architecture.
• The presence of water molecules significantly influences the hydrogen bonding pattern and overall crystal packing.
• This structural insight is fundamental for understanding the compound's physical and chemical properties.