Journal of Applied Crystallography

Volume 32, Part 1 (February 1999)

J. Appl. Cryst. (1999). 32, 15-20 [doi:10.1107/S0021889898006189]

Crystal structures of a solvated and unsolvated sulfone cyclic oligomer

J. A. Kaduk, P. J. Cahill and L. N. Venkateshwaran

Abstract: The structure of the DMSO (dimethyl sulfoxide) solvate of the macrocyclic [22] dimer, 17,17,37,37-tetramethyl-2,12,22,32-tetraoxa-7,27-dithianonacyclo[36.2.2.2 $^{3,6}$ .-2 $^{8,11}$ .2 $^{13,16}$ .2 $^{18,21}$ .2 $^{23,26}$ .2 $^{28,31}$ .2 $^{33,36}$ ]hexapentaconta-3,5,8,-10,13,15,18,20,23,25,28,30,33,35,38,40,41,43,45,47,49,51,53,55-tetracosaene 7,7,27,27-tetraoxide, formed from $4,\!4'$ -dichlorodiphenyl sulfone and bisphenol-A has been determined by single-crystal techniques and the structure of the unsolvated dimer refined using X-ray powder diffraction data. The molecular conformations are similar and phenyl-phenyl stacking interactions are apparently important in determining the molecular conformation in the solid state. ${\rm C_{54}H_{44}O_8S_2}$ . ${\rm C_2H_6OS}$ (1) cyclo-[ $p\hbox{-}{\rm C_6H_4)SO_2(}p\hbox{-}{\rm C_6H_4)O(}p{\rm \hbox{-}C_6H_4)$ ${\rm C(CH_3)_2(}p{\rm \hbox{-}$ ${\rm C_6H_4)O]_2}$ . ${\rm C_2H_6OS}$ : molecular weight 963.2, monoclinic, (2), (3), (2) Å, $\beta =91.18$ $(1)^\circ$ , (7) Å. ${\rm C_{54}H_{44}O_8S_2}$ (2), cyclo-[( $p{\rm \hbox{-} C_6H_4)SO_2(}p{\rm \hbox{-}$ ${\rm C_6H_4)O(}p{\rm \hbox{-} C_6H_4)C(CH_3)_2(}p{\rm \hbox{-}$ ${\rm C_6H_4)O]_2}$ : molecular weight 885.06, monoclinic, , (15), (18), (12) Å, $\beta =92.684$ $(11)^\circ$ , (5) Å.

Online 1 February 1999


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