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<p>The organic crystal 4-nitrophenol 4-aminobenzoic acid monohydrate (4NP4ABA) was synthesized by slow evaporation at room temperature. Single-crystal and powder X-ray diffraction confirmed a monoclinic structure. Hirshfeld surface analysis with fingerprint plots provided quantitative insight into the intermolecular interactions influencing crystal packing. Surface quality was assessed using chemical etching, while FT-IR spectroscopy was used to identify functional groups. Tauc’s plot was used to determine the energy band gap, and fluorescence spectroscopy revealed strong green-yellow emission at 550&#xa0;nm. Dielectric studies of 4NP4ABA showed a decrease in dielectric constant and loss with increasing frequency, whereas higher temperatures resulted in improved conductivity. The Cole–Cole impedance spectrum obtained from the crystal revealed that resistivity decreased with increasing temperature. Overall, 4NP4ABA exhibits favourable optical and electrical properties, making it a promising candidate for advanced materials applications.</p>

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Optical, electrical, and hirshfeld surface analysis of 4-nitrophenol 4-aminobenzoic acid monohydrate single crystal

  • 期刊论文

  • 发表日期：

    2026年5月8日

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  • Vijayakumar Kannan,
  • Purushothaman Periyasamy,
  • Palani Periyasamy,
  • Santhosh Sacratees,
  • Saleem Haydullakhan

摘要

The organic crystal 4-nitrophenol 4-aminobenzoic acid monohydrate (4NP4ABA) was synthesized by slow evaporation at room temperature. Single-crystal and powder X-ray diffraction confirmed a monoclinic structure. Hirshfeld surface analysis with fingerprint plots provided quantitative insight into the intermolecular interactions influencing crystal packing. Surface quality was assessed using chemical etching, while FT-IR spectroscopy was used to identify functional groups. Tauc’s plot was used to determine the energy band gap, and fluorescence spectroscopy revealed strong green-yellow emission at 550 nm. Dielectric studies of 4NP4ABA showed a decrease in dielectric constant and loss with increasing frequency, whereas higher temperatures resulted in improved conductivity. The Cole–Cole impedance spectrum obtained from the crystal revealed that resistivity decreased with increasing temperature. Overall, 4NP4ABA exhibits favourable optical and electrical properties, making it a promising candidate for advanced materials applications.