The origin of synthons and supramolecular motifs: beyond atoms and functional groups.

ABSTRACT: A four-membered R₂²(4) supramolecular motif formed by S...S and S...I chalcogen-bonding interactions in the crystal structure of 4-iodo-1,3-dithiol-2-one (C₃HIOS₂, IDT) is analysed and compared with a similar R₂²(4) motif (stabilized by Se...Se and Se...O chalcogen bonds) observed in the previously reported crystal structure of selenaphthalic anhydride (C₈H₄O₂Se, SePA) through detailed charge density analysis. Our investigation reveals that the chalcogen-bonding interactions participating in the R₂²(4) motifs observed in the two structures have the same characteristic orientation of local electrostatic electrophilic...nucleophilic interactions while involving different t

SUBMITTER: Shukla R 

PROVIDER: S-EPMC12044848 | biostudies-literature | 2025 May

REPOSITORIES: biostudies-literature