Thiocalix[4] arenes. I. Synthesis and structure of ethylthiocalix[4]arene methyl ether and the related structure of bromocalix[4]arene methyl ether |
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Authors: | Fumio Hamada Simon G. Bott G. William Orr Anthony W. Coleman Hongming Zhang Jerry L. Atwood |
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Affiliation: | (1) Department of Chemistry, University of Alabama, 35487 Tuscaloosa, AL, U.S.A. |
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Abstract: | Bromocalix[4]arene methyl ether serves as a precursor in the synthesis of the title thiocalixarene via the reagent CuSEt. Ethylthiocalix[4]arene methyl ether crystallizes in the monoclinic space groupP21/c witha = 20.577(9),b, = 10.722(5),c = 20.315(9) Å, = 120.46(4)°, andDc = 1.24 g cm–3 forZ = 4. Refinement based on 1441 observed reflections led toR = 0.080. The configuration of the calixarene lies between the partial cone and the 1,3-altemate conformations. Bromocalix[4]arene methyl ether crystallizes in the triclinic space groupPI witha = 12.283(7),b = 17.658(9),c = 18.118(6) Å, = 90.25(6), = 105.95(4), = 105.11(6)°, andDc = 1.68 g cm–3 forZ = 4. Refinement based on 3028 observed reflections led toR = 0.083. The unit cell also contains four CHCl3 molecules which exist pairwise enclathrated by six calixarenes. The partial cone conformation of the bromocalixarene is identical to that of ethylthiocalix[4]arene methyl ether. |
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Keywords: | Calix[4]arene thiocalixarene bromocalixarene crystal structure |
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