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- W2904363875 endingPage "333" @default.
- W2904363875 startingPage "323" @default.
- W2904363875 abstract "Chalcogen bonding (CB) is the focus of increased attention for its applications in medicinal chemistry, materials science, and crystal engineering. However, the origin of sulfur's recognition properties remains controversial, and experimental evidence for supporting theories is still emerging. Here, a comprehensive evaluation of sulfur CB interactions is presented by investigating 2,1,3-benzothiadiazole X-ray crystallographic structures gathered from the Cambridge Structure Database (CSD), Protein Data Bank (PDB), and own laboratory findings. Through the systematic analysis of substituent effects on a subset library of over thirty benzothiadiazole derivatives, the competing interactions have been categorized into four main classes, namely 2S-2N CB square, halogen bonding (XB), S⋅⋅⋅S, and hydrogen-bonding (HB). A geometric model is employed to characterize the 2S-2N CB square motifs and discuss the role of electrostatic, dipole, and orbital contributions toward the interaction." @default.
- W2904363875 created "2018-12-22" @default.
- W2904363875 creator A5055111291 @default.
- W2904363875 creator A5058207950 @default.
- W2904363875 creator A5064252894 @default.
- W2904363875 creator A5070838051 @default.
- W2904363875 creator A5073517394 @default.
- W2904363875 date "2018-12-11" @default.
- W2904363875 modified "2023-10-17" @default.
- W2904363875 title "Chalcogen Bonding “2S–2N Squares” versus Competing Interactions: Exploring the Recognition Properties of Sulfur" @default.
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