Formation of Planar π-Conjugated Sheets in Cocrystals of Bis(iodoethynyl)pyridines and Bipyrimidylalkynes: Cooperative C–H···N Hydrogen Bonds and sp-C–I···N Halogen Bonds
Year: 2024
Type: article
Abstract: The cocrystallization of the ditopic halogen bond donors 2,5-, 2,6-, 3,5-bis(iodoethynyl)pyridines with the dipyrimidyls 1,2-bis(5-pyrimidyl)ethyne and 1,4-bis(5-pyrimidyl)butadiyne is explored. The cocrystal components have complementary shapes and functional groups so that the noncovalent C-I···N halogen bonding and C-H···N hydrogen bonding interactions are complementary resulting in 1:1 cocrystals with the ditopic halogen bond accepting bipyrimidyls. The cocrystals feature π-stacked planar sheets of alternating bis(iodoalkynes) and bipyrimidyls held together in one direction by I···N halogen bonds and in the roughly orthogonal direction by pyridine-pyridine and pyrimidine-pyrimidine C-H···N hydrogen bonds.
Source: Crystal Growth & Design
Authors: Lydia B. Lang, Nathan P. Bowling, Eric Bosch
Language: English
Subfield: Physical and Theoretical Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $4,500
Awards: Collaborative Research: RUI: Controlling Arylene Ethynylene Structure and Function, RUI: Promoting Through-Space Charge Transfer via Arylene Ethynylene Templates, MRI: Acquisition of a Single Crystal X-ray Diffractometer for Research and Teaching at Missouri State University, G7552637, Collaborative Research: RUI: Controlling Arylene Ethynylene Structure and Function
OpenAlex ID: W4404124678