(E)-N'-(4-Meth-oxy-benzyl-idene)pyridine-3-carbohydrazide dihydrate

Area of Science:

• Crystallography
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Benzohydrazide derivatives are important in medicinal chemistry.
• Understanding the solid-state structure is crucial for drug design and material science.
• Hydrazone compounds exhibit diverse biological activities.

Purpose of the Study:

• To elucidate the crystal structure of a specific benzohydrazide dihydrate compound.
• To analyze the molecular conformation and intermolecular interactions.
• To investigate the hydrogen bonding network in the crystalline state.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, and dihedral angles.
• Identification and analysis of hydrogen bonding interactions.

Main Results:

• The compound crystallizes as a dihydrate (C14H13N3O2·2H2O).
• The hydrazone moiety adopts an E conformation, and the methyl-idene-hydrazide fragment is planar.
• A 3D hydrogen bonding network involving benzohydrazide and water molecules was observed, with N-H⋯O, O-H⋯O, and O-H⋯N interactions.

Conclusions:

• The crystal structure provides detailed insights into the conformational preferences and intermolecular forces of this benzohydrazide derivative.
• The observed hydrogen bonding network dictates the supramolecular architecture in the solid state.
• This structural information can be valuable for the development of new compounds with tailored properties.