Predictability of isostructurality within monosubstituted cinnamide crystals
Saidykhan, Amie Telford, Richard Bowen, Richard D.
Saidykhan, Amie
Telford, Richard
Bowen, Richard D.
Publication Date
2025-06
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© 2025 The Authors. Published by American Chemical Society. This publication is licensed under CC-BY 4.0
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openAccess
Accepted for publication
2025-04-30
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Abstract
The use of isostructural crystals as a crystal engineering
design tool to identify potential mixed crystals is common for inorganic
materials but has not been extensive in molecular crystal engineering
due to their wider variety. Therefore, it is important to develop a
greater understanding of the features that promote isostructural
chemical families. A series of substituted cinnamides has been
investigated, experimentally and computationally, identifying five
isostructural sets, which are also predicted as low-energy structures.
While o- and p-substituted compounds show groupings with multiple
members, the m-substituted systems have fewer groups and show a
higher level of disorder in the crystal structures. All the structures
comprise consistent hydrogen-bonding motifs with only differences in
the packing of these components; this suggests that further
isostructural polymorphs may be possible by alteration of growth conditions or the use of other phases as hetero-seeds.
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Citation
Seaton CC, Fenwick NW, Saidykhan A et al (2025) Predictability of isostructurality within monosubstituted cinnamide crystals. Crystal Growth and Design. 25(11): 3928–3937.
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