Crystal structure and Hirshfeld surface analysis of 5-hy-droxy-penta-nehydrazide.

Abstract

This study reports the synthesis and structural characterization of 5-hydroxypentanehydrazide, an aliphatic carboxyhydrazide compound prepared by reacting a lactone with hydrazine hydrate. Colorless prismatic single crystals were obtained and found to belong to the orthorhombic space group P2. Supramolecular analysis revealed medium-to-strong intermolecular hydrogen bonding interactions involving both the hydroxyl and hydrazide functional groups. Three-dimensional crystal packing was further examined using Hirshfeld surface analysis and fingerprint plots, which identified weak H···H and C···H contacts. The compound is noted as a potential intermediate for derivatives capable of inhibiting Mycobacterium tuberculosis catalase-peroxidase (KatG), thereby contributing to pathogen elimination.

Mechanism

The compound's hydroxyl and hydrazide moieties can be derivatized to yield analogs that inhibit Mycobacterium tuberculosis catalase-peroxidase (KatG), potentially leading to pathogen death.