Structure-Directing Interplay between Tetrel and Halogen Bonding in Co-Crystal of Lead(II) Diethyldithiocarbamate with Tetraiodoethylene.

ABSTRACT: The co-crystallization of the lead(II) complex [Pb(S₂CNEt₂)₂] with tetraiodoethylene (C₂I₄) gave the co-crystal, [Pb(S₂CNEt₂)₂]∙½C₂I₄, whose X-ray structure exhibits only a small change of the crystal parameters than those in the parent [Pb(S₂CNEt₂)₂]. The supramolecular organization of the co-crystal is largely determined by an interplay between Pb⋯S tetrel bonding (TeB) and I⋯S halogen bonding (HaB) with comparable contributions from these non-covalent contacts; the TeBs observed in the parent complex, [Pb(S₂CNEt₂)₂], remain unchanged in the co-crystal. An analysis of the theoretical calculation data, performed for

SUBMITTER: Zelenkov LE 

PROVIDER: S-EPMC9569466 | biostudies-literature | 2022 Oct

REPOSITORIES: biostudies-literature