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Primary weak hydrogen bonds in each of three independent molecules in 3,4-bis-O-propargyl-1,2:5,6-di-O-isopropylidene-d-mannitol are elucidated by single-crystal X-ray diffraction and their importance in molecular conformation and crystal packing determined. Parallel searches… Click to show full abstract
Primary weak hydrogen bonds in each of three independent molecules in 3,4-bis-O-propargyl-1,2:5,6-di-O-isopropylidene-d-mannitol are elucidated by single-crystal X-ray diffraction and their importance in molecular conformation and crystal packing determined. Parallel searches of the Cambridge Structural Database using motifs based on donor and acceptor propargyl D—H⋯A contacts reveal distance and angle dependencies that are especially sensitive to acceptor type, so, together, these findings will be beneficial in applications for the molecule and its congeners as anion binders and precursors for the synthesis of macrocycles.
Journal Title: Acta Crystallographica. Section C, Structural Chemistry
Year Published: 2022
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