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All figures (12)
Fig. 2. Synthesis of the host compounds 1, 3 and 6.
Fig. 7. Illustration of the structure 2b: (a) Host molecule chain showing twofold disorder of the hydroxyl group. (b) Channel-like packing structure in the crystallographic b-direction and respective Van-der-Waals model. Non-relevant H-atoms were omitted for clarity.
Fig. 3. Synthesis of the host compounds 2, 4 and 5.
Fig. 12. Vapor absorption diagrams of the hosts 1 - 5 in comparison with BTh1 and BTh2 (a) as well as of the host 6 coated from different solvents (b).
Fig. 4. Molecular structures of the studied inclusion compounds 1a (a), 2a (b), 2b (c), 4a (d), 4b (e), 4c (f) and 5a (g) involving atom numbering scheme and specification of disorder sites in 1a, 2a, 4a, 4b, 4c and 5a. (Ellipsoid plots drawn with 50 % probability level.)
Table 4 Packing properties of the crystalline inclusion compounds.
Table 3 Selected torsion angles of the host conformations in the crystal structures of 1-6.
Table 5 Vapor absorption ratios of the studied host compounds.
Fig. 5. Illustration of the structure 1a: (a) Host molecule strand showing hydrogen bond ring motif R2 2(10) and linkage of pyridine. (b) Cage-like packing structure. Non-relevant H-atoms are omitted for clarity.
Table 1 Stoichiometric ratios (host:guest) in the inclusion compounds of the new hosts 1 - 6 as well as of BTh1 and BTh2 as determined by 1H-NMR.
Fig. 1. Chemical formulae of the studied diol host compounds 1-6 including compounds for comparison (BTh1 and BTh2) and specification of corresponding inclusion compounds proven by X-ray structure determination.
Fig. 8. Illustration of the structure 4a: (a) Host molecule strand involving linkage of pyridine. (b) Channel-like packing structure and Van-der-Waals model (channel A = unrefined pyridine, channel B = refined pyridine). Non-relevant H-atoms are omitted for clarity.
Journal Article
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DOI
•
Structural studies on inclusion compounds and solvent sorption behavior of gradually elongated wheel-and-axle-type diol hosts featuring lateral benzo[b]thiophene units
[...]
Felix Katzsch
1
,
Tobias Gruber
2
,
Edwin Weber
1
•
Institutions (2)
Freiberg University of Mining and Technology
1
,
University of Lincoln
2
15 Jun 2016
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Journal of Molecular Structure