Abstract
The doubly deprotonated form of calix[6]arene, with two protonated triethylamines as counter-ions, crystallizes in the monoclinic system: space groupP21/n,a=8.465(4),b=17.822(8),c=15.182(6) Å,β=90.18(4)°,V=2291(2) Å3,Z=2. Refinement led to a final conventionalR value of 0.063 for 1046 reflections. The macrocycle conformation is not apinched cone, usual for freeR-calix[6]arene, but a distorted 1,2,3-alternate cone, since the molecule lies on a symmetry center. Furthermore, one of the torsion angles defined by the methylene bridges is near to zero, which is unusual in calixarene structures.
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Supplementary Data relating to this article (atomic coordinates for hydrogen atoms, anisotropic displacement parameters for oxygen and nitrogen atoms, and observed and calculated structure factors) are deposited with the British Library as Supplementary Publication No. SUP 82182 (7 pages).
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Thuéry, P., Keller, N., Lance, M. et al. A doubly deprotonated form of calix[6]arene: Crystal and molecular structure of (calix[6]arene-2H)2−·(HNEt +3 )2 . J Incl Phenom Macrocycl Chem 20, 89–96 (1994). https://doi.org/10.1007/BF00707614
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DOI: https://doi.org/10.1007/BF00707614