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

Authors :
Dyk, Konrad
Kinzhybalo, Vasyl
Horak, Yuriy
Butenko, Serhii
Siczek, Miłosz
Kamiński, Daniel M.
Source :
Journal of Applied Crystallography. Feb2024, Vol. 57 Issue 1, p104-114. 11p.
Publication Year :
2024

Abstract

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. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00218898
Volume :
57
Issue :
1
Database :
Academic Search Index
Journal :
Journal of Applied Crystallography
Publication Type :
Academic Journal
Accession number :
175256775
Full Text :
https://doi.org/10.1107/S1600576723010609