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Abstract | Cited by

Strong halogen bonds can provide a foundation for reliable supramolecular strategies for effective self-assembly and design of functional materials. A new class of halogen-bond donors have been developed using structural and theoretical tools and these 3-iodo-1-phenylprop-2-yn-1-ones demonstrate several features that make them promising additions to the crystal engineering tool-box.

Graphical abstract: A family of powerful halogen-bond donors: a structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones

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