One- and two-dimensional NMR study of structure of 1,2-disubstituted p-tert-butylthiacalix[4]arene containing amide fragment |
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| Authors: | F Kh Karataeva R R Vagizova I I Stoikov I S Antipin V V Klochkov |
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| Institution: | 1751. Kazan State University, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008, Russia
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| Abstract: | The structure of 5,11,17,23-tetra-tert-butyl-25,27-dihydroxy-26,28-bisN-(4′-nitrophenyl)aminocarbonylmethoxy] thiacalix4]arene I was examined by 1D and 2D (NOESY) 1H and 13C NMR methods in a CDCl3 solution using numerical simulation (semi-empirical quantum-chemical calculations, PM3 method). Compound I was found to exist in the 1,2-alternate conformation, where bulky substituents OCH2C(O)· NHPhNO2 are in the endo-position relative to the macrocycle cavity. |
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