A new hydrated crystalline form of N-[(E)-(4-hydroxyphenyl)methylidene]-1H-1,2,4-triazol-3-amine and its antifungal activity

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-01-01 DOI:10.1107/S205698902401209X

Boualia Boutheina , Bouhidel Zakaria , Aouatef Cherouana , Bendeif El-Eulmi

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Abstract

The synthesis, crystal structure, Hirshfeld surface analysis, and antifungal assessment of a new monohydrated Schiff base with a triazole moiety are reported.

The synthesis, crystal structure, Hirshfeld analysis, and antifungal assessment of a new monohydrated Schiff base with a triazole moiety are reported. The structural study revealed the presence of three significant hydrogen bonds (N—H⋯N, O—H⋯N, and O—H⋯O), which contribute to the cohesion of the crystal. These bonds generate two-dimensional layers parallel to the bc plane, built on the basis of rings with the graph-set motifs R⁴₄(8) and R⁴₄(24). The crystal structure is further consolidated by π–π interactions between similar rings. The antifungal activity of the Schiff base was evaluated against three fungi: Fusarium oxysporum, Botrytis cinerea, and Alternaria alternata, showing significant antifungal activity, particularly against Alternaria alternata.

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N-[(E)-（4-羟基苯基）甲基二烯]- 1h -1,2,4-三唑-3胺的水合结晶及其抗真菌活性

本文报道了一种新型含三唑的一水合席夫碱的合成、晶体结构、Hirshfeld分析和抗真菌活性评价。结构研究揭示了三个重要的氢键（N- h⋯N， O- h⋯N和O- h⋯O）的存在，这些氢键有助于晶体的内聚。这些键产生了平行于bc平面的二维层，这些层建立在图集基序为r44(8)和r44（24）的环的基础上。相似环之间的π-π相互作用进一步巩固了晶体结构。测定了希夫碱对尖孢镰刀菌、灰霉病菌和交替孢霉的抑菌活性，结果表明希夫碱对交替孢霉的抑菌活性显著。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Acta Crystallographica Section E: Crystallographic Communications Chemistry-Chemistry (all)

CiteScore

1.90

自引率

0.00%

发文量

351

审稿时长

3 weeks

期刊介绍： Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.

A new hydrated crystalline form of N-[(E)-(4-hy­droxy­phen­yl)methyl­idene]-1H-1,2,4-triazol-3-amine and its anti­fungal activity

Abstract

A new hydrated crystalline form of N-[(E)-(4-hydroxyphenyl)methylidene]-1H-1,2,4-triazol-3-amine and its antifungal activity