Chalcogen Bond versus Halogen Bond: Changing Contributions in Determining the Crystal Packing of Dihalobenzochalcogenadiazoles

Ishigaki, Yusuke; Shimomura, Kai; Asai, Kota; Shimajiri, Takuya; Akutagawa, Tomoyuki; Fukushima, Takanori; Suzuki, Takanori

Chalcogen Bond versus Halogen Bond: Changing Contributions in Determining the Crystal Packing of Dihalobenzochalcogenadiazoles

Ishigaki, Yusuke; Shimomura, Kai; Asai, Kota et al.

Bulletin of the chemical society of Japan, 2022, 95(3), 522-531

Permalink : https://hdl.handle.net/2115/85202

このアイテムのアクセス数:408件（2026-02-12 21:33 集計）

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https://doi.org/10.1246/bcsj.20220008			1

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アクセス権	metadata only access
URI	https://hdl.handle.net/2115/85202
タイトル	Chalcogen Bond versus Halogen Bond: Changing Contributions in Determining the Crystal Packing of Dihalobenzochalcogenadiazoles
著者	Ishigaki, Yusuke ; Shimomura, Kai ; Asai, Kota ; Shimajiri, Takuya ; Akutagawa, Tomoyuki ; Fukushima, Takanori ; Suzuki, Takanori
e-Rad_Researcher 60776475 著者名 Ishigaki, Yusuke
著者名 Shimomura, Kai
著者名 Asai, Kota
著者名 Shimajiri, Takuya
e-Rad_Researcher 60271631 著者名 Akutagawa, Tomoyuki
著者名 Fukushima, Takanori
e-Rad_Researcher 70202132 著者名 Suzuki, Takanori
言語	英語
キーワード	Crystal engineering
	Intermolecular interaction
	Chalcogenadiazole
発行日	2022-03
出版者	日本化学会（Chemical Society of Japan）
収録物名	Bulletin of the chemical society of Japan
巻(号)	95(3)
ページ	522-531
抄録	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.
資源タイプ	学術雑誌論文
出版タイプ	Version of Record
PISSN	0009-2673
関連情報 (isIdenticalTo)	出版社版DOI https://doi.org/10.1246/bcsj.20220008