Loading...
Isostructurality of quinoxaline crystal phases: The interplay of weak hydrogen bonds and halogen bonding
Saidykhan, Amie Fenwick, Nathan W. Bowen, Richard D. Telford, Richard Seaton, Colin C.
Saidykhan, Amie
Fenwick, Nathan W.
Bowen, Richard D.
Telford, Richard
Seaton, Colin C.
Publication Date
2021-10
End of Embargo
Supervisor
Rights
(c) 2021 The Authors. This is an Open Access article distributed under the Creative Commons CC-BY license (http://creativecommons.org/licenses/by/3.0/)
Peer-Reviewed
Yes
Open Access status
openAccess
Accepted for publication
2021-09-15
Institution
Department
Awarded
Embargo end date
Collections
Additional title
Abstract
Tailoring the physical properties of molecular crystals though the construction of solid solutions requires the existence of isostructural crystals. Simple substitutions of a given molecular framework can give a range of different crystal structures. A set of quinoxaline derivatives, C8H4N2(C6H4X)2,Q3,3′X2, has been investigated (X = F, Cl, Br, I and Me) where kinetic factors generated a set of isostructural crystals for the lighter halogens (F, Cl, Br) alone. Computational analysis shows that the stabilising interactions are maximal for Cl, while DSC studies demonstrate the existence of more stable polymorphs for both F and Br containing systems. Steric factors appear to have a lower contribution than the balance of weaker hydrogen and halogen bonding shown by the Me and I containing systems displaying different packing driven by CH⋯N/CH⋯π bonds and I⋯I bonds respectively.
Version
Published version
Citation
Saidykhan A, Fenwick NW, Bowen RD et al (2021) Isostructurality of quinoxaline crystal phases: The interplay of weak hydrogen bonds and halogen bonding. CrystEngComm. 23(40): 7108-7117.
Link to publisher’s version
Link to published version
Link to Version of Record
Type
Article