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Abstract <p>The title compounds, (<i>E</i>)-3-(((4-iodophenyl)imino)methyl)benzene-1,2-diol compound <b>1</b> and (<i>E</i>)-3-(((3-bromo-4-methylphenyl)imino)methyl)benzene-1,2-diol <b>2</b> are synthesized and comprehensively characterized through spectroscopic and crystallographic techniques, including single crystal X-ray diffraction, IR, UV-Vis, <sup>1</sup>H NMR, and <sup>13</sup>C NMR analyses. Both compounds adopt an <i>E</i> configuration with respect to the C=N double bond and crystallize in the triclinic crystal system, space group <InlineEquation ID="IEq1"> <EquationSource Format="TEX">$P\bar{1}$</EquationSource> </InlineEquation>. Their crystal packings are primarily stabilized by O−H⋯O hydrogen bonds, complemented by C–H⋯π interactions, which extend the packing into a three-dimensional supramolecular framework. Hirshfeld surface analysis is employed to identify regions of potential hydrogen-bond formation and to quantify the relative contribution of different intermolecular contacts. The results reveal that C⋯H interactions dominate the surface contributions, underscoring their importance in the overall packing stability and molecular arrangement.</p>

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Synthesis, Characterization, and Hirshfeld Surface Analysis of Two Schiff Bases: (E)-3-(((4-iodophenyl)imino)methyl)Benzene-1,2-Diol and (E)-3-(((3-bromo-4-methylphenyl)imino)methyl)-Benzene-1,2-Diol

  • 期刊论文

  • 发表日期：

    2026年4月1日

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  • O. Şimşek,
  • Ş. Atalay,
  • M. Taşdoğan,
  • E. Ağar,
  • H. Bülbül,
  • S. Kansız

摘要

Abstract

The title compounds, (E)-3-(((4-iodophenyl)imino)methyl)benzene-1,2-diol compound 1 and (E)-3-(((3-bromo-4-methylphenyl)imino)methyl)benzene-1,2-diol 2 are synthesized and comprehensively characterized through spectroscopic and crystallographic techniques, including single crystal X-ray diffraction, IR, UV-Vis, 1H NMR, and 13C NMR analyses. Both compounds adopt an E configuration with respect to the C=N double bond and crystallize in the triclinic crystal system, space group $P\bar{1}$ . Their crystal packings are primarily stabilized by O−H⋯O hydrogen bonds, complemented by C–H⋯π interactions, which extend the packing into a three-dimensional supramolecular framework. Hirshfeld surface analysis is employed to identify regions of potential hydrogen-bond formation and to quantify the relative contribution of different intermolecular contacts. The results reveal that C⋯H interactions dominate the surface contributions, underscoring their importance in the overall packing stability and molecular arrangement.