Intermolecular Interactions Drive the Unusual Co-Crystallization of Different Calix[4]arene Conformations
Crystallization of 5,17-dibromo-11,27,23,25-tetraone-26,28-dipropoxycalix[4]arene results in the rare observation of two different calix[4]arene conformations (partial cone and 1,3-alternate) co-crystallized within the same single crystal X-ray structure. Analysis using <sup>1</sup>H and...
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| Format: | Article |
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MDPI AG
2022-02-01
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| Series: | Crystals |
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| Online Access: | https://www.mdpi.com/2073-4352/12/2/250 |
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| author | Dominic Taylor Irene Ling Filipe Vilela Scott J. Dalgarno |
| author_facet | Dominic Taylor Irene Ling Filipe Vilela Scott J. Dalgarno |
| author_sort | Dominic Taylor |
| collection | DOAJ |
| description | Crystallization of 5,17-dibromo-11,27,23,25-tetraone-26,28-dipropoxycalix[4]arene results in the rare observation of two different calix[4]arene conformations (partial cone and 1,3-alternate) co-crystallized within the same single crystal X-ray structure. Analysis using <sup>1</sup>H and <sup>13</sup>C NMR spectroscopy revealed that only a single conformation (the cone) was present in solution, and in contrast to the structures of other reported calix[4]arenes and calix[4]quinones, both conformations of the compound present in this crystal structure have a “pinched” shape, drastically reducing Br-Br separation and associated cavity sizes. |
| first_indexed | 2024-03-09T22:13:58Z |
| format | Article |
| id | doaj.art-0eac9f06df8549df8f8755b2986cc977 |
| institution | Directory Open Access Journal |
| issn | 2073-4352 |
| language | English |
| last_indexed | 2024-03-09T22:13:58Z |
| publishDate | 2022-02-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Crystals |
| spelling | doaj.art-0eac9f06df8549df8f8755b2986cc9772023-11-23T19:25:24ZengMDPI AGCrystals2073-43522022-02-0112225010.3390/cryst12020250Intermolecular Interactions Drive the Unusual Co-Crystallization of Different Calix[4]arene ConformationsDominic Taylor0Irene Ling1Filipe Vilela2Scott J. Dalgarno3School of Engineering and Physical Sciences, Heriot-Watt University, Riccarton, Edinburgh EH14 4AS, UKSchool of Science, Monash University Malaysia, Jalan Lagoon Selatan, 47500 Bandar Sunway, MalaysiaSchool of Engineering and Physical Sciences, Heriot-Watt University, Riccarton, Edinburgh EH14 4AS, UKSchool of Engineering and Physical Sciences, Heriot-Watt University, Riccarton, Edinburgh EH14 4AS, UKCrystallization of 5,17-dibromo-11,27,23,25-tetraone-26,28-dipropoxycalix[4]arene results in the rare observation of two different calix[4]arene conformations (partial cone and 1,3-alternate) co-crystallized within the same single crystal X-ray structure. Analysis using <sup>1</sup>H and <sup>13</sup>C NMR spectroscopy revealed that only a single conformation (the cone) was present in solution, and in contrast to the structures of other reported calix[4]arenes and calix[4]quinones, both conformations of the compound present in this crystal structure have a “pinched” shape, drastically reducing Br-Br separation and associated cavity sizes.https://www.mdpi.com/2073-4352/12/2/250crystal structurecalix[4]quinoneconformation |
| spellingShingle | Dominic Taylor Irene Ling Filipe Vilela Scott J. Dalgarno Intermolecular Interactions Drive the Unusual Co-Crystallization of Different Calix[4]arene Conformations Crystals crystal structure calix[4]quinone conformation |
| title | Intermolecular Interactions Drive the Unusual Co-Crystallization of Different Calix[4]arene Conformations |
| title_full | Intermolecular Interactions Drive the Unusual Co-Crystallization of Different Calix[4]arene Conformations |
| title_fullStr | Intermolecular Interactions Drive the Unusual Co-Crystallization of Different Calix[4]arene Conformations |
| title_full_unstemmed | Intermolecular Interactions Drive the Unusual Co-Crystallization of Different Calix[4]arene Conformations |
| title_short | Intermolecular Interactions Drive the Unusual Co-Crystallization of Different Calix[4]arene Conformations |
| title_sort | intermolecular interactions drive the unusual co crystallization of different calix 4 arene conformations |
| topic | crystal structure calix[4]quinone conformation |
| url | https://www.mdpi.com/2073-4352/12/2/250 |
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