p-methoxybenzaldehyde benzoylhydrazone monohydrate

Area of Science:

• Crystallography
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Understanding the solid-state structure of organic compounds is crucial for predicting their properties.
• Hydrazone derivatives are known for diverse applications, necessitating detailed structural characterization.
• Tautomerism and molecular conformation significantly influence chemical behavior and intermolecular interactions.

Purpose of the Study:

• To determine the precise crystal structure of the title compound, C(15)H(14)N(2)O(2). H(2)O.
• To elucidate the tautomeric form and stereochemistry around the azomethine bond.
• To investigate the intermolecular interactions, including hydrogen bonding, that stabilize the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to analyze the crystal structure.
• The crystallographic data were refined to obtain precise atomic coordinates and bond parameters.
• Analysis of the crystal structure included determination of molecular geometry, conformation, and hydrogen bonding networks.

Main Results:

• The title compound crystallizes in the keto tautomeric form.
• The configuration of the azomethine (C=N) double bond was determined to be E.
• The molecule exhibits a non-planar geometry, with a dihedral angle of 27.3 (1) degrees between the aromatic rings.
• Extensive intermolecular hydrogen bonding, involving the water molecule and the hydrazone moiety, was observed, stabilizing the crystal structure.

Conclusions:

• The crystal structure determination provides fundamental insights into the solid-state behavior of this hydrazone derivative.
• The observed keto form and E-configuration are key structural features influencing the compound's properties.
• The extensive hydrogen bonding network highlights the role of supramolecular interactions in organizing the crystal packing.