Home >

news Help

Publication Information


Title
Japanese: 
English:Chalcogen Bond versus Halogen Bond: Changing Contributions in Determining the Crystal Packing of Dihalobenzochalcogenadiazoles 
Author
Japanese: Y. Ishigaki, K. Shimomura, K. Asai, T. Shimajiri, 芥川 智行, 福島 孝典, T. Suzuki.  
English: Y. Ishigaki, K. Shimomura, K. Asai, T. Shimajiri, T. Akutagawa, T. Fukushima, T. Suzuki.  
Language English 
Journal/Book name
Japanese: 
English:Bulletin of the Chemical Society of Japan 
Volume, Number, Page Vol. 95    No. 3    Page 522–531
Published date Feb. 15, 2022 
Publisher
Japanese: 
English: 
Conference name
Japanese: 
English: 
Conference site
Japanese: 
English: 
Official URL https://www.journal.csj.jp/doi/10.1246/bcsj.20220008
 
DOI https://doi.org/10.1246/bcsj.20220008
Abstract In the crystals of 4,7-dihalobenzo[c][1,2,5]chalcogenadiazoles, the molecules are connected by two competing secondary bonding interactions: chalcogen bond (ChB) and halogen bond (HaB). Because the strengths of ChB and HaB change according to the kind of chalcogen (E: S, Se, Te) and halogen (X: Cl, Br, I), their relative contributions in determining the crystal packing can also change. Six newly determined crystal structures as well as 3 previously reported structures can be categorized into two groups: ChB-dominant and HaB-dominant structures. HaB in which X = I is strong enough to dictate the crystal packing of compounds with E = S and Se, but not where E = Te, whereas HaB in which X = Cl or Br has little effect on ChB-dominant molecular networks in crystals. The observed changing contributions of ChB and HaB may be useful for designing new supramolecular synthons for crystal engineering.

©2007 Tokyo Institute of Technology All rights reserved.