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Abstract <p>Slow evaporation of a solution of 5,6-dicyano[1,2,5]selenodiazolo[3,4-<i>b</i>]pyrazine (<b>1</b>) and 18-crown-6 (<b>2</b>) in tetrahydrofuran (THF) yields the <b>1</b><sub>4</sub>·<b>2</b><sub>3</sub> THF<sub>2</sub> (<b>3</b>) molecular crystal complex. The composition of <b>3</b> differs from the 1:1 stoichiometry typical for molecular complexes of 1,2,5-chalcogenadyazole derivatives with crown ethers. The structure of <b>3</b> is determined by single crystal X-Ray diffraction. The crystal packing of <b>3</b> is formed by π-stacking interactions between the molecules of <b>1</b> and by strongly shortened Se⋯O contacts between the molecules of <b>1</b> and <b>2</b>. The Se⋯O contacts meet the geometric criteria of chalcogen bonding.</p>

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New Molecular Complex 5,6-Dicyano[1,2,5]Selenodiazolo[3,4-b]Pyrazine c 18-Crown-6

  • 期刊论文

  • 发表日期：

    2025年8月29日

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  • E. A. Radiush,
  • N. A. Semenov

摘要

Abstract

Slow evaporation of a solution of 5,6-dicyano[1,2,5]selenodiazolo[3,4-b]pyrazine (1) and 18-crown-6 (2) in tetrahydrofuran (THF) yields the 14·23 THF2 (3) molecular crystal complex. The composition of 3 differs from the 1:1 stoichiometry typical for molecular complexes of 1,2,5-chalcogenadyazole derivatives with crown ethers. The structure of 3 is determined by single crystal X-Ray diffraction. The crystal packing of 3 is formed by π-stacking interactions between the molecules of 1 and by strongly shortened Se⋯O contacts between the molecules of 1 and 2. The Se⋯O contacts meet the geometric criteria of chalcogen bonding.