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Abstract <p>A new inclusion compound of cinnamic aldehyde (cin) based on porous lutetium(III) <i>trans</i>-thienothiophene-2,5-dicarboxylate (ttdc<sup>2–</sup>) metal-organic framework was characterized by means of single-crystal XRD, IR, CHN and TGA methods. The title crystal structure with the formula [Lu<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub> (ttdc)<sub>3</sub>]·2DMF·cin (<b>1</b><sub><b>cin</b></sub>) was derived from the parent MOF [Lu<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>(ttdc)<sub>3</sub>]·4DMF (<b>1</b><sub><b>DMF</b></sub>) upon slow solid-to-liquid solvent exchange. Cinnamal molecules, well-resolved within the structure of rigid coordination network, are hydrogen-bonded to the H atom of coordinated water molecule. Close π⋯π-stacking contacts between the coplanar propene fragments, capable for possible [2+2] cycloaddition reactions, and unusual for cinnamal inclusion compounds, were found between the neighbor guest molecules in the crystal structure.</p>

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Crystal Structure of Inclusion Compound of Porous Lutetium(III) trans-Thienothiophene-2,5-Dicarboxylate with trans-Cinnamaldehyde

  • 期刊论文

  • 发表日期：

    2025年4月1日

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  • P. A. Demakov,
  • T. S. Sukhikh,
  • V. P. Fedin

摘要

Abstract

A new inclusion compound of cinnamic aldehyde (cin) based on porous lutetium(III) trans-thienothiophene-2,5-dicarboxylate (ttdc2–) metal-organic framework was characterized by means of single-crystal XRD, IR, CHN and TGA methods. The title crystal structure with the formula [Lu2(H2O)2 (ttdc)3]·2DMF·cin (1cin) was derived from the parent MOF [Lu2(H2O)2(ttdc)3]·4DMF (1DMF) upon slow solid-to-liquid solvent exchange. Cinnamal molecules, well-resolved within the structure of rigid coordination network, are hydrogen-bonded to the H atom of coordinated water molecule. Close π⋯π-stacking contacts between the coplanar propene fragments, capable for possible [2+2] cycloaddition reactions, and unusual for cinnamal inclusion compounds, were found between the neighbor guest molecules in the crystal structure.