Structural diversity in the solid-state architectures of bis(4-pyridyl)acetylene and its derivatives
Date
2020
Authors
Shotonwa, Ibukun O.
Boeré, René T.
Journal Title
Journal ISSN
Volume Title
Publisher
Atlanta Publishing House
Abstract
The crystals of bis(4-pyridyl)acetylene are orthorhombic and belong to the space group Fddd. Solid-state investigation using conventional and Hirshfeld analytical techniques revealed valuable data and structural diversities that explain the wide gap between established crystal reports of co-crystals and metal organic frameworks and the pure form of the title compound. Hirshfeld surface analysis in this wise has proved to be a useful tool in unravelling complex intermolecular interactions and simplifying them at the 2D and 3D levels using sub-tools such as fingerprint plots and electrostatic potential surfaces. Both techniques have shown that the H∙∙∙Npyr interactions in the title compound are shorter than those in its polymorphic counterpart by 0.2 Å. The more stable network provided by hetero-molecular interactions in co-crystals and metal complexes of bis(4-pyridyl)acetylene shed light on their lengthy existence compared to the less favorable homo-molecular interactions in pure molecules of bis(4-pyridyl)acetylene.
Description
Open access article. Creative Commons Attribution-NonCommercial 4.0 International License (CC BY-NC 4.0) applies
Keywords
Fddd , Co-crystals , Fingerprint plots , Hirshfeld surface , Electrostatic potential
Citation
Shotonwa, I. O., & Boere, R. T. (2020). Structural diversity in the solid-state architectures of bis(4-pyridyl)acetylene and its derivatives. European Journal of Chemistry, 11(1), 6-14. https://doi.org/10.5155/eurjchem.11.1.6-14.1946