(E)-N'-(3,4-Di-meth-oxy-benzyl-idene)nicotinohydrazide monohydrate

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Organic Chemistry

Background:

• Nicotinohydrazide is a derivative of nicotinic acid with potential biological activities.
• Understanding the solid-state structure is crucial for its chemical and pharmaceutical applications.
• Hydrated forms can exhibit different packing and properties compared to anhydrous compounds.

Purpose of the Study:

• To elucidate the crystal structure of the hydrated nicotinohydrazide compound (C15H15N3O3·H2O).
• To analyze the molecular conformation and intermolecular interactions, including hydrogen bonding and crystal packing.
• To describe the formation of a three-dimensional molecular network.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the crystal structure.
• Analysis of bond lengths, bond angles, and dihedral angles.
• Identification and analysis of hydrogen bonding networks (N-H···O, O-H···O, O-H···N) and other non-covalent interactions (C-H···O, C-H···π).

Main Results:

• The nicotinohydrazide molecule adopts a trans conformation around the C=N bond.
• A dihedral angle of 5.10(14)° was observed between the benzene and pyridine rings.
• The crystal structure features an extensive hydrogen bonding network involving the nicotinohydrazide molecules and the solvent water molecule, leading to zigzag chains and a 3D network.

Conclusions:

• The hydrated nicotinohydrazide forms a complex three-dimensional supramolecular network driven by hydrogen bonding.
• The solvent water molecule plays a critical role in mediating these interactions and stabilizing the crystal structure.
• The detailed structural information provides insights into the solid-state behavior of nicotinohydrazide.