{"title":"Crystal Structure of Inclusion Compound of Porous Lutetium(III) trans-Thienothiophene-2,5-Dicarboxylate with trans-Cinnamaldehyde","authors":"P. A. Demakov, T. S. Sukhikh, V. P. Fedin","doi":"10.1134/S002247662504002X","DOIUrl":null,"url":null,"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>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"66 4","pages":"661 - 668"},"PeriodicalIF":1.2000,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Structural Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1134/S002247662504002X","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
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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.
期刊介绍：
Journal is an interdisciplinary publication covering all aspects of structural chemistry, including the theory of molecular structure and chemical bond; the use of physical methods to study the electronic and spatial structure of chemical species; structural features of liquids, solutions, surfaces, supramolecular systems, nano- and solid materials; and the crystal structure of solids.
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