Abstract
Monohydrate complexes1–3 ofsym-hydroxydibenzo-14-crown-4,sym-cis-dihydroxydibenzo-14-crown-4 andsym-trans-dihydroxydibenzo-14-crown-4, respectively, have been prepared and their solid state structures determined. For all three complexes the space group wasCmc21. The crystal data are: for1,a=16.256(10),b=12.076(5),c=8.767(3) Å,V=1721.0 Å3 withZ=4; for2,a=16.437(3),b=11.997(4),c=8.640(3) Å,V=1703.8 Å3 withZ=4; for3,a=16.528(7),b=12.306(3),c=8.540(3) Å,V=1737.0 Å3 withZ=4. The structures were refined to [R, R w, unique data withF<nσ (F)]: for1, 0.066, 0.055, 828, 2.5; for2, 0.034, 0.035, 1090, 3.0; for3, 0.047, 0.036, 1038, 3.0. The three crystal structures have a high degree of isomophism and the dibenzo-14-crown-4 units in the three host-guest complexes are nearly identical. Intramolecular hydrogen bonds link an alcohol oxygen atom of the host to the oxygen atom of the guest water molecule and the oxygen atom of the guest water molecule to ether oxygen atoms of the host in1–3. In2 and3, there is an intermolecular hydrogen bond between the hydrogen atom of an alcohol group of the host and the oxygen atom of a symmetry-related water molecule guest of another complex.
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Dalley, N.K., Weiming, J., Olsher, U. et al. Crystal structures of dibenzo-14-crown-4 alcohol and diol monohydrates. J Incl Phenom Macrocycl Chem 23, 85–98 (1995). https://doi.org/10.1007/BF00707887
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DOI: https://doi.org/10.1007/BF00707887