European Journal of Chemistry 2020, 11(1), 6-14 | doi: https://doi.org/10.5155/eurjchem.11.1.6-14.1946 | Get rights and content






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Structural diversity in the solid-state architectures of bis(4-pyridyl)acetylene and its derivatives


Ibukun Oluwaseun Shotonwa (1,*) orcid , Rene Theodoor Boere (2) orcid

(1) Department of Chemistry, Faculty of Science, Lagos State University, Ojo, Lagos, 102101, Nigeria
(2) Department of Chemistry and Biochemistry, University of Lethbridge, 4401 University Drive West, Lethbridge, Alberta, T1K3M4, Canada
(*) Corresponding Author

Received: 14 Dec 2019 | Revised: 29 Jan 2020 | Accepted: 01 Feb 2020 | Published: 31 Mar 2020 | Issue Date: March 2020

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.


Keywords


Fddd; Crystals; Co-crystals; Fingerprint plots; Hirshfeld surface; Electrostatic potential

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DOI: 10.5155/eurjchem.11.1.6-14.1946

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Natural Sciences and Engineering Research Council of Canada; University of Lethbridge, Canada; Lagos State University, Nigeria.

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Supporting information


The Supplementary Material for this article can be found online at: Supplementary files

How to cite


Shotonwa, I.; Boere, R. Eur. J. Chem. 2020, 11(1), 6-14. doi:10.5155/eurjchem.11.1.6-14.1946
Shotonwa, I.; Boere, R. Structural diversity in the solid-state architectures of bis(4-pyridyl)acetylene and its derivatives. Eur. J. Chem. 2020, 11(1), 6-14. doi:10.5155/eurjchem.11.1.6-14.1946
Shotonwa, I., & Boere, R. (2020). Structural diversity in the solid-state architectures of bis(4-pyridyl)acetylene and its derivatives. European Journal of Chemistry, 11(1), 6-14. doi:10.5155/eurjchem.11.1.6-14.1946
Shotonwa, Ibukun, & Rene Theodoor Boere. "Structural diversity in the solid-state architectures of bis(4-pyridyl)acetylene and its derivatives." European Journal of Chemistry [Online], 11.1 (2020): 6-14. Web. 4 Jun. 2020
Shotonwa, Ibukun, AND Boere, Rene. "Structural diversity in the solid-state architectures of bis(4-pyridyl)acetylene and its derivatives" European Journal of Chemistry [Online], Volume 11 Number 1 (31 March 2020)

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