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Chalcogen Bond versus Halogen Bond: Changing Contributions in Determining the Crystal Packing of Dihalobenzochalcogenadiazoles
Title: | Chalcogen Bond versus Halogen Bond: Changing Contributions in Determining the Crystal Packing of Dihalobenzochalcogenadiazoles |
Authors: | Ishigaki, Yusuke Browse this author →KAKEN DB | Shimomura, Kai Browse this author | Asai, Kota Browse this author | Shimajiri, Takuya Browse this author | Akutagawa, Tomoyuki Browse this author →KAKEN DB | Fukushima, Takanori Browse this author | Suzuki, Takanori Browse this author →KAKEN DB |
Keywords: | Crystal engineering | Intermolecular interaction | Chalcogenadiazole |
Issue Date: | Mar-2022 |
Publisher: | 日本化学会(Chemical Society of Japan) |
Journal Title: | Bulletin of the chemical society of Japan |
Volume: | 95 |
Issue: | 3 |
Start Page: | 522 |
End Page: | 531 |
Publisher DOI: | 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, l), 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. |
Type: | article |
URI: | http://hdl.handle.net/2115/85202 |
Appears in Collections: | 理学院・理学研究院 (Graduate School of Science / Faculty of Science) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)
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