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Conformational behaviour of tetramethoxythiacalix[4]arenes: solution versus solid-state study |
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| Institution: | a Department of Organic Chemistry, Prague Institute of Chemical Technology, Technická 5, 166 28 Prague 6, Czech Republic b Institute of Chemical Process Fundamentals, Czech Academy of Sciences, Rozvojova 135, 165 02 Prague 6, Czech Republic c Laboratory of NMR Spectroscopy, Institute of Chemical Technology, Technická 5, 166 28 Prague 6, Czech Republic d Department of Solid State Chemistry, Institute of Chemical Technology, Technická 5, 166 28 Prague 6, Czech Republic |
| Abstract: | The conformational behaviour of simple thiacalix4]arene derivatives was studied using a combination of NMR spectroscopy and X-ray diffraction analysis. The 25,26,27,28-tetramethoxythiacalix4]arene was found to adopt an unprecedented solid-state structure, where the cone and 1,3-alternate conformers co-exist in the crystal lattice in the 3:1 ratio. This phenomenon reflects the basically distinct conformational behaviour of thiacalix4]arene skeleton as compared with classical calixarenes. |
| Keywords: | calixarenes conformations X-ray crystallography |
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