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    Isostructurality of quinoxaline crystal phases: The interplay of weak hydrogen bonds and halogen bonding

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    saidykhan_et_al_2021 (3.434Mb)
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    Publication date
    2021-10
    Author
    Saidykhan, Amie
    Fenwick, Nathan W.
    Bowen, Richard D.
    Telford, Richard
    Seaton, Colin C.
    Keyword
    Quinoxaline crystal phases
    Hydrogen bonds
    Molecular crystals
    Crystal structures
    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
    Gold
    
    Metadata
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    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.
    URI
    http://hdl.handle.net/10454/18687
    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
    https://doi.org/10.1039/D1CE00878A
    Type
    Article
    Collections
    Life Sciences Publications

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