- Title
- Exploring intermolecular contacts in multi-substituted benzaldehyde derivatives: X-ray, Hirshfeld surface and lattice energy analyses
- Creator
- Hulushe, Siyabonga T
- Creator
- Manyeruke, Meloddy H
- Creator
- Louzada, Marcel
- Creator
- Rigin, Sergei
- Creator
- Hosten, Eric C
- Creator
- Watkins, Gareth M
- Date Issued
- 2020
- Date
- 2020
- Type
- text
- Type
- article
- Identifier
- http://hdl.handle.net/10962/148483
- Identifier
- vital:38743
- Identifier
- DOI: 10.1039/C9RA10752E
- Description
- Crystal structures of six benzaldehyde derivatives (1–6) have been determined and their supramolecular networks were established by an X-ray crystallographic study. The study has shown that the compounds are linked by various intermolecular interactions such as weak C–H⋯O hydrogen bonding, and C–H⋯π, π–π and halogen bonding interactions which consolidate and strengthen the formation of these molecular assemblies. The carbonyl group generates diverse synthons in 1–6 via intermolecular C–H⋯O hydrogen bonds. An interplay of C–H⋯O hydrogen bonds, and C–H⋯π and π–π stacking interactions facilitates the formation of multi-dimensional supramolecular networks. Crystal packings in 4 and 5 are further generated by type I halogen⋯halogen bonding interactions. The differences in crystal packing are represented by variation of substitution positions in the compounds. Structure 3 is isomorphous with 4 but there are subtle differences in their crystal packing.
- Format
- 14 pages
- Format
- Language
- English
- Relation
- RSC Advances
- Relation
- Hulushe, S.T., Manyeruke, M.H., Louzada, M., Rigin, S., Hosten, E.C. and Watkins, G.M., 2020. Exploring intermolecular contacts in multi-substituted benzaldehyde derivatives: X-ray, Hirshfeld surface and lattice energy analyses. RSC Advances, 10(29), pp.16861-16874.
- Relation
- RSC Advances volume 10 number 29 16861 16874 April 2020 2046-2069
- Rights
- Publisher
- Rights
- Use of this resource is governed by the terms and conditions of the Royal Society of Chemistry Terms and Conditions Statement (https://0-www.rsc.org.wam.seals.ac.za/help-legal/)
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Watkins, Gareth Mostyn (Prof)
RU Department of Chemistry
SDG 03. Good Health and Well-Being
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