Supramolecular architectures sustained by delocalised C–I···π(arene) interactions in molecular crystals and the propensity of their formation†
A systematic analysis of the Cambridge Crystallographic Database has been made for supramolecular architectures sustained by C–I···π(chelate ring) interactions where the iodide atom is directed towards the ring centroid, Cg, of the arene ring, i.e. with the angle subtended at the iodide atom, C–I···...
| Main Author: | |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Royal Society of Chemistry
2020
|
| Subjects: | |
| Online Access: | http://eprints.sunway.edu.my/1569/ http://eprints.sunway.edu.my/1569/1/Tiekink%20acc%20crystengcomm%202021%2023%20904.pdf |
| _version_ | 1848802088950169600 |
|---|---|
| author | Tiekink, Edward R. T. * |
| author_facet | Tiekink, Edward R. T. * |
| author_sort | Tiekink, Edward R. T. * |
| building | SU Institutional Repository |
| collection | Online Access |
| description | A systematic analysis of the Cambridge Crystallographic Database has been made for supramolecular architectures sustained by C–I···π(chelate ring) interactions where the iodide atom is directed towards the ring centroid, Cg, of the arene ring, i.e. with the angle subtended at the iodide atom, C–I···Cg (θ) being ≥ 160°. The majority of the 181 identified aggregates are one-dimensional chains of varying topology (100 examples) followed by zero-dimensional
aggregates (71 examples) with only a small number of two-dimensional arrays (4 examples). The overall likelihood for the formation of these delocalised interactions is around 4%, a number that increases to around 15% when the angle θ restriction is relaxed to 90°. A comparison has been made with the formation of C–X···π(chelate ring) interactions for the lower (X =) bromide, chloride and fluoride congeners. This shows these interactions are more
likely to form in the order X = I > Br > Cl >> F. |
| first_indexed | 2025-11-14T21:17:48Z |
| format | Article |
| id | sunway-1569 |
| institution | Sunway University |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-14T21:17:48Z |
| publishDate | 2020 |
| publisher | Royal Society of Chemistry |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | sunway-15692021-02-02T07:27:12Z http://eprints.sunway.edu.my/1569/ Supramolecular architectures sustained by delocalised C–I···π(arene) interactions in molecular crystals and the propensity of their formation† Tiekink, Edward R. T. * QD Chemistry A systematic analysis of the Cambridge Crystallographic Database has been made for supramolecular architectures sustained by C–I···π(chelate ring) interactions where the iodide atom is directed towards the ring centroid, Cg, of the arene ring, i.e. with the angle subtended at the iodide atom, C–I···Cg (θ) being ≥ 160°. The majority of the 181 identified aggregates are one-dimensional chains of varying topology (100 examples) followed by zero-dimensional aggregates (71 examples) with only a small number of two-dimensional arrays (4 examples). The overall likelihood for the formation of these delocalised interactions is around 4%, a number that increases to around 15% when the angle θ restriction is relaxed to 90°. A comparison has been made with the formation of C–X···π(chelate ring) interactions for the lower (X =) bromide, chloride and fluoride congeners. This shows these interactions are more likely to form in the order X = I > Br > Cl >> F. Royal Society of Chemistry 2020 Article PeerReviewed text en cc_by_nc_4 http://eprints.sunway.edu.my/1569/1/Tiekink%20acc%20crystengcomm%202021%2023%20904.pdf Tiekink, Edward R. T. * (2020) Supramolecular architectures sustained by delocalised C–I···π(arene) interactions in molecular crystals and the propensity of their formation†. CrystEngComm, 23. pp. 904-928. ISSN 1466-8033 (In Press) |
| spellingShingle | QD Chemistry Tiekink, Edward R. T. * Supramolecular architectures sustained by delocalised C–I···π(arene) interactions in molecular crystals and the propensity of their formation† |
| title | Supramolecular architectures sustained by delocalised C–I···π(arene) interactions in molecular crystals and the propensity of their formation† |
| title_full | Supramolecular architectures sustained by delocalised C–I···π(arene) interactions in molecular crystals and the propensity of their formation† |
| title_fullStr | Supramolecular architectures sustained by delocalised C–I···π(arene) interactions in molecular crystals and the propensity of their formation† |
| title_full_unstemmed | Supramolecular architectures sustained by delocalised C–I···π(arene) interactions in molecular crystals and the propensity of their formation† |
| title_short | Supramolecular architectures sustained by delocalised C–I···π(arene) interactions in molecular crystals and the propensity of their formation† |
| title_sort | supramolecular architectures sustained by delocalised c–i···π(arene) interactions in molecular crystals and the propensity of their formation† |
| topic | QD Chemistry |
| url | http://eprints.sunway.edu.my/1569/ http://eprints.sunway.edu.my/1569/1/Tiekink%20acc%20crystengcomm%202021%2023%20904.pdf |