Bending the bonds: unveiling halogen interactions in the elastic polymorph of 2,5-bis(3-bromophenyl)furan

This paper investigates the structural properties of 2,5-bis(3-bromophenyl)furan polymorphs, focusing on the halogen interactions and their influence on crystal mechanical properties. In this study, three different polymorphic modifications were obtained which crystallize in the orthorhombic system....

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Bibliographic Details
Published in:Journal of applied crystallography 2024-02, Vol.57 (1), p.104-114
Main Authors: Dyk, Konrad, Kinzhybalo, Vasyl, Horak, Yuriy, Butenko, Serhii, Siczek, Miłosz, Kamiński, Daniel M.
Format: Article
Language:English
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Summary:This paper investigates the structural properties of 2,5-bis(3-bromophenyl)furan polymorphs, focusing on the halogen interactions and their influence on crystal mechanical properties. In this study, three different polymorphic modifications were obtained which crystallize in the orthorhombic system. Two of the polymorphs possess halogen interactions but only one exhibits elastic properties. Through X-ray diffraction, crystallographic analysis and computational modelling, intricate bromine-based halogen interactions and their impact on the packing arrangement and stability were revealed. The correlation between these interactions and crystal properties, including molecular arrangement and intermolecular forces, is explored. Understanding these relationships is vital for materials design and supramolecular chemistry, enabling the rational synthesis of tailored materials.
ISSN:1600-5767
0021-8898
1600-5767
DOI:10.1107/S1600576723010609