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DC Field | Value | Language |
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dc.contributor.author | Frampton, CS | - |
dc.contributor.author | MacNicol, DD | - |
dc.contributor.author | Gall, JH | - |
dc.contributor.author | Ketuly, KK | - |
dc.contributor.author | Ali, HBM | - |
dc.contributor.author | Azizan, AHS | - |
dc.date.accessioned | 2017-04-10T13:46:49Z | - |
dc.date.available | 2017-04-06 | - |
dc.date.available | 2017-04-10T13:46:49Z | - |
dc.date.issued | 2017 | - |
dc.identifier.citation | CrystEngComm, 2017 | en_US |
dc.identifier.issn | 1466-8033 | - |
dc.identifier.uri | http://bura.brunel.ac.uk/handle/2438/14394 | - |
dc.description.abstract | The structure of the iso-propanol clathrate of 4-p-hydroxyphenyl 2,2,4-trimethylthiachroman, the direct thia- analogue of Dianin's compound, has been studied by single-crystal X-ray diffraction as a function of temperature from 371 K down to 90 K. The standard Dianin unit cell, observed at high temperature, undergoes two sequential commensurate thermal phase transformations which results at low temperature in a unit cell with 16 times the original volume and with Z'(host) = 16 and Z = 288, the space group R-3 being retained. This ultimate unit cell with a quadrupled a-axis has a = 111.7910(5)Å and c = 10.8568(1)Å and the crystal packing now features not only the prototypal [OH]6 hexamer host unit but also novel hydrogen-bonded octameric host-guest units with respective symmetries Ci and C1. In addition it has been established that the corresponding achiral selena-Dianin‘s clathrate and the polar chiral quasiracemic iso-propanol clathrate, space group R3, formed from R-Dianin's and S-Thia-Dianin's components also exhibit novel related temperature-dependant behaviour. | en_US |
dc.description.sponsorship | Financial support from the Malaysia HIR MOHE, Grant No:F000009-21001 is gratefully acknowledged. We also wish to thank Dr Alex. R. Eberlin, Johnson-Matthey (Pharmorphix), Cambridge (UK), for assistance with the DSC experiments. | en_US |
dc.language.iso | en | en_US |
dc.publisher | Royal Society of Chemistry | en_US |
dc.title | An unprecedented Dianin clathrate structure with Z ' (host) = 16 | en_US |
dc.type | Article | en_US |
dc.identifier.doi | http://dx.doi.org/10.1039/C7CE00451F | - |
dc.relation.isPartOf | CrystEngComm | - |
pubs.publication-status | Published online | - |
Appears in Collections: | Dept of Mechanical and Aerospace Engineering Research Papers |
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FullText.pdf | File is embargoed until 05/04/2018 | 3.03 MB | Adobe PDF | View/Open |
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