Anastasia A. Shiryaeva, Valery G. Vlasenko, Ali I. Uraev, Oleg P. Demidov, Anatolii S. Burlov, Dmitrii A. Garnovskii
{"title":"铜(II) β-氨基乙烯基酮配合物的晶体结构和Hirshfeld表面分析","authors":"Anastasia A. Shiryaeva, Valery G. Vlasenko, Ali I. Uraev, Oleg P. Demidov, Anatolii S. Burlov, Dmitrii A. Garnovskii","doi":"10.1007/s11224-025-02508-4","DOIUrl":null,"url":null,"abstract":"<div><p>The results of the synthesis and investigation of two copper(II) complexes based on 1-phenyl-3-(8-quinolylamino)but-2-en-1-one (<b>HL</b>) are presented. Both complexes were characterized by elemental analysis and IR spectroscopy. The crystalline and molecular structure of copper(II) complexes was determined using single-crystal X-ray diffraction analysis. Depending on the synthesis method (with or without the addition of sodium methoxide in a methanol solution), two different types of crystal structures with compositions CuL<sub>2</sub> and CuLCOOCH<sub>3</sub> were obtained. The Hirschfeld surface analysis method was used to analyze interactions between molecules in crystals, which made it possible to visualize and quantify hydrogen bonds, van der Waals forces, and π-π stacking interactions in these compounds. This study demonstrated that the structure of the complex is dependent on the synthesis conditions that affect the coordination environment of copper(II) ions and the characteristics of intermolecular interaction.</p></div>","PeriodicalId":780,"journal":{"name":"Structural Chemistry","volume":"36 5","pages":"1913 - 1923"},"PeriodicalIF":2.2000,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Crystal structure and Hirshfeld surface analysis of copper(II) β-aminovinyl ketone complexes\",\"authors\":\"Anastasia A. Shiryaeva, Valery G. Vlasenko, Ali I. Uraev, Oleg P. Demidov, Anatolii S. Burlov, Dmitrii A. Garnovskii\",\"doi\":\"10.1007/s11224-025-02508-4\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The results of the synthesis and investigation of two copper(II) complexes based on 1-phenyl-3-(8-quinolylamino)but-2-en-1-one (<b>HL</b>) are presented. Both complexes were characterized by elemental analysis and IR spectroscopy. The crystalline and molecular structure of copper(II) complexes was determined using single-crystal X-ray diffraction analysis. Depending on the synthesis method (with or without the addition of sodium methoxide in a methanol solution), two different types of crystal structures with compositions CuL<sub>2</sub> and CuLCOOCH<sub>3</sub> were obtained. The Hirschfeld surface analysis method was used to analyze interactions between molecules in crystals, which made it possible to visualize and quantify hydrogen bonds, van der Waals forces, and π-π stacking interactions in these compounds. This study demonstrated that the structure of the complex is dependent on the synthesis conditions that affect the coordination environment of copper(II) ions and the characteristics of intermolecular interaction.</p></div>\",\"PeriodicalId\":780,\"journal\":{\"name\":\"Structural Chemistry\",\"volume\":\"36 5\",\"pages\":\"1913 - 1923\"},\"PeriodicalIF\":2.2000,\"publicationDate\":\"2025-04-22\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Structural Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s11224-025-02508-4\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Structural Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s11224-025-02508-4","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Crystal structure and Hirshfeld surface analysis of copper(II) β-aminovinyl ketone complexes
The results of the synthesis and investigation of two copper(II) complexes based on 1-phenyl-3-(8-quinolylamino)but-2-en-1-one (HL) are presented. Both complexes were characterized by elemental analysis and IR spectroscopy. The crystalline and molecular structure of copper(II) complexes was determined using single-crystal X-ray diffraction analysis. Depending on the synthesis method (with or without the addition of sodium methoxide in a methanol solution), two different types of crystal structures with compositions CuL2 and CuLCOOCH3 were obtained. The Hirschfeld surface analysis method was used to analyze interactions between molecules in crystals, which made it possible to visualize and quantify hydrogen bonds, van der Waals forces, and π-π stacking interactions in these compounds. This study demonstrated that the structure of the complex is dependent on the synthesis conditions that affect the coordination environment of copper(II) ions and the characteristics of intermolecular interaction.
期刊介绍:
Structural Chemistry is an international forum for the publication of peer-reviewed original research papers that cover the condensed and gaseous states of matter and involve numerous techniques for the determination of structure and energetics, their results, and the conclusions derived from these studies. The journal overcomes the unnatural separation in the current literature among the areas of structure determination, energetics, and applications, as well as builds a bridge to other chemical disciplines. Ist comprehensive coverage encompasses broad discussion of results, observation of relationships among various properties, and the description and application of structure and energy information in all domains of chemistry.
We welcome the broadest range of accounts of research in structural chemistry involving the discussion of methodologies and structures,experimental, theoretical, and computational, and their combinations. We encourage discussions of structural information collected for their chemicaland biological significance.