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Molecules 2018, 23(3), 572; https://doi.org/10.3390/molecules23030572

Network Formation via Anion Coordination: Crystal Structures Based on the Interplay of Non-Covalent Interactions

1
Department of Chemistry “Ugo Schiff”, via della Lastruccia 3, 50019 Sesto Fiorentino, Italy
2
Consorzio per lo Sviluppo dei Sistemi a Grande Interfase (CSGI), via della Lastruccia 3, 50019 Sesto Fiorentino, Italy
*
Author to whom correspondence should be addressed.
Received: 13 February 2018 / Revised: 24 February 2018 / Accepted: 27 February 2018 / Published: 3 March 2018
(This article belongs to the Special Issue Noncovalent Interactions: A Useful Tool for Crystal Design)
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Abstract

We describe the synthesis and the structural characterization of new H2L(CF3CO2)2 (1) and H2L(Ph2PO4)2 (2) compounds containing the diprotonated form (H2L2+) of the tetrazine-based molecule 3,6-di(pyridin-4-yl)-1,2,4,5-tetrazine. X-ray diffraction (XRD) analysis of single crystals of these compounds showed that H2L2+ displays similar binding properties toward both anions when salt bridge interactions are taken into account. Nevertheless, the different shapes, sizes and functionalities of trifluoroacetate and diphenyl phosphate anions define quite different organization patterns leading to the peculiar crystal lattices of 1 and 2. These three-dimensional (3D) architectures are self-assembled by a variety of non-covalent forces, among which prominent roles are played by fluorine–π (in 1) and anion–π (in 2) interactions. View Full-Text
Keywords: tetrazines; anion complexes; weak forces; anion–π; halogen–π; crystal structures tetrazines; anion complexes; weak forces; anion–π; halogen–π; crystal structures
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Savastano, M.; Bazzicalupi, C.; Mariani, P.; Bianchi, A. Network Formation via Anion Coordination: Crystal Structures Based on the Interplay of Non-Covalent Interactions. Molecules 2018, 23, 572.

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