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Abstract <p>A new nitronylnitroxyl radical 2-(4-oxo-1,2-dihydro-4<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinolin-5-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1<i>H</i>-imidazole-3-oxide-1-oxyle is obtained by condensing aldehyde with vicinal bis(hydroxylamine) followed by 1,3-dihydroxyimidazolidine oxidation. The molecular and crystal structures of the radical is determined by X-ray diffraction. It is shown that the radical crystallizes with two molecules in the asymmetric unit of the unit cell, which have the same geometry. The crystalline compound has a specific architecture since the molecule includes two constituent moieties of different nature. The main intermolecular interactions are C–H⋯O and C–H⋯π in the crystal. The 2D fingerprint plots of two molecules constructed based on Hirshfeld surfaces have similar morphologies due to similar crystalline environments.</p>

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Synthesis, Molecular and Crystal Structures of 4-Oxo-1,2-Dihydro-4H-Pyrrolo[3,2,1-ij]Quinolin-5-yl)-Substituted Nitronylnitroxyl

  • 期刊论文

  • 发表日期：

    2025年8月29日

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  • N. A. Bakuleva,
  • B. V. Lichitskii,
  • A. I. Samigullina,
  • E. V. Tretyakov

摘要

Abstract

A new nitronylnitroxyl radical 2-(4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyle is obtained by condensing aldehyde with vicinal bis(hydroxylamine) followed by 1,3-dihydroxyimidazolidine oxidation. The molecular and crystal structures of the radical is determined by X-ray diffraction. It is shown that the radical crystallizes with two molecules in the asymmetric unit of the unit cell, which have the same geometry. The crystalline compound has a specific architecture since the molecule includes two constituent moieties of different nature. The main intermolecular interactions are C–H⋯O and C–H⋯π in the crystal. The 2D fingerprint plots of two molecules constructed based on Hirshfeld surfaces have similar morphologies due to similar crystalline environments.