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Abstract
A dual chalcogen-bonding interaction was proposed as a novel means for the conformational control of urea derivatives. The formation of a chalcogen-bonding interaction at both sides of the urea carbonyl group was unambiguously revealed by X-ray diffraction, as well as by natural bond orbital (NBO) analysis via DFT calculations. By virtue of this dual interaction, urea derivatives bearing chalcogen atoms (X = S and Se) were made to adopt a planar structure via the carbonyl oxygen (O) with an X•••O•••X arrangement on the same side of the molecule. Tweezer-shaped urea derivatives were also developed based on conformational control using the dual chalcogen-bonding interaction.
Supplementary materials
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Supporting Information
Description
Experimental procedures, spectroscopic and X-ray data for all new compounds, and computational data
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