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

5-ヒドロキシペンタンヒドラジドの結晶構造およびHirshfeld表面解析

other not specified not assessed

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.

Bibliographic

Authors
Justen GA, Carneiro Neto JS, Sousa Santana F, Leiriane Batistel Ribas M, Gomes da Silva de Paula F, Dario PP, et al.
Journal
Acta Crystallogr E Crystallogr Commun
Year
2024 (2024-04-01)
PMID
38721432
DOI
10.1107/S2056989024002871
PMC
PMC11074568

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Delivery context

The delivery route is not clearly identifiable from this paper. For hydrogen intake, inhalation is the most efficient route; inhalation, however, carries explosion risk (empirical LFL of 10%; high-concentration devices are not recommended).

Safety notes

The delivery route is not clearly identifiable from this paper. For hydrogen intake, inhalation is the most efficient route; inhalation, however, carries explosion risk (empirical LFL of 10%; high-concentration devices are not recommended).

See also:

Cite as: H2 Papers — PMID 38721432. https://h2-papers.org/en/papers/38721432
Source: PubMed PMID 38721432