Crystal structure, spectral characterization, photophysical properties, Hirshfeld surface analysis, and antimicrobial activity of homopiperazinium dichromate(VI).

IF 1.1 Q4 PHARMACOLOGY & PHARMACY

Annales pharmaceutiques francaises Pub Date : 2025-08-05 DOI:10.1016/j.pharma.2025.07.010

Utkirjon Holikulov, Sonia Trabelsi, Houda Marouani, Thierry Roisnel, Omar M Al-Dossary, Abduvakhid Jumabaev, Noureddine Issaoui

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引用次数: 0

Abstract

This work presents a comprehensive study of the crystal structure, spectral properties (IR and UV-Vis), thermal behavior, and antimicrobial activity of homopiperazinium dichromate (C₅H1₄N₂)Cr₂O₇(VI). X-ray diffraction reveals that the compound crystallizes in the monoclinic space group P2₁/c, with unit cell dimensions a=8.7275(8)Å, b=10.5769(11)Å, and c=14.7467(10)Å and β=122.941(4)°. The crystal packing is stabilized by intermolecular N-H…O and C-H…O hydrogen bonds, with Hirshfeld surface analysis revealing dominant O…H/H…O interactions contributing 80.5% to the overall crystal cohesion. UV-Vis absorption bands are observed at 279, 354, and 446nm, with an estimated band gap energy of 3.019eV, indicating high stability and moderate optical activity. Thermal analysis shows an intense endothermic fusion peak followed by continuous decomposition, leading to chromium oxide formation. Antimicrobial tests demonstrate significant inhibition activity against tested pathogens, including notable antifungal effects against Candida albicans. These results highlight the potential of this hybrid material in antimicrobial development and photochemical applications.

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重铬酸同哌嗪（VI）的晶体结构、光谱表征、光物理性质、Hirshfeld表面分析和抗菌活性。

本文对重铬酸盐（C5H14N2）Cr2O7（VI）的晶体结构、光谱性质（IR和UV-Vis）、热行为和抗菌活性进行了全面的研究。x射线衍射结果表明，化合物在单斜晶群P21/c中结晶，晶胞尺寸a = 8.7275(8) Å， b = 10.5769（11） Å， c = 14.7467（10） Å， β =122.941(4)°。分子间的N-H·O和C-H·O氢键稳定了晶体填塞，Hirshfeld表面分析显示，主要的O··H/H·O相互作用贡献了80.5%的整体晶体内聚力。在279,354和446 nm处观察到紫外可见吸收带，估计带隙能量为3.019 eV，具有较高的稳定性和中等的光学活性。热分析显示出一个强烈的吸热融合峰，随后是连续分解，导致氧化铬的形成。抗菌试验显示对被测病原体有显著的抑制活性，包括对白色念珠菌的显著抗真菌作用。这些结果突出了这种杂化材料在抗菌开发和光化学应用方面的潜力。

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

Annales pharmaceutiques francaises PHARMACOLOGY & PHARMACY-

CiteScore

1.70

自引率

7.70%

发文量

期刊介绍： This journal proposes a scientific information validated and indexed to be informed about the last research works in all the domains interesting the pharmacy. The original works, general reviews, the focusing, the brief notes, subjected by the best academics and the professionals, propose a synthetic approach of the last progress accomplished in the concerned sectors. The thematic Sessions and the – life of the Academy – resume the communications which, presented in front of the national Academy of pharmacy, are in the heart of the current events.