Abstract
The first crystal structure of a potassium cation complex with dicyclohexano-18-crown-6 is reported. The potassium 2-nitrophenoxide complex ofsyn-cis-syn dicyclohexano-18-crown-6 crystallizes in the triclinic space group P\(\bar 1\) with cell constantsa=8.604(2),b=10.772(4),C=16.123(5)Å, α=73.86(3)°,β=77.61(3)°, γ=82.68(3)° andZ=2 forD c =1.31 g cm−3. Least-squares refinement based on 2742 observed reflections led to a final conventionalR value of 0.040. Dicyclohexano-18-crown-6 has the shape of a saddle with the potassium cation sitting at the saddlepoint. The structure of the 2-nitrophenoxide anion is dominanted by the quinoid resonance contributor. Because the complex is devoid of significant intercomplex interactions, it is a prototypical 1:1:1 complex.
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C. J. Pedersen:J. Am. Chem. Soc. 89, 2495; 7017 (1967).
P. Main, S. E. Hull, L. Lessinger, G. Germain, J.-P. Declereq and M. M. Woolfson: MULTAN78 A System of Computer Programs for the Automatic Solution of Crystal Structures from X-ray Diffraction Data. Univ. of York, England, and Univ. of Louvain, Belgium (1978).
B. A. Frenz and Y. Okaya: Enraf-Nonius Structure Determination Package, Delft, Holland (1980).
D. T. Cromer and J. T. Waber:International Tables for X-ray Crystallography, vol. IV, Table 2.2B, Kynoch Press, Birmingham, England (1974) (Distr.: D. Reidel, Dordrecht.)
D. T. Cromer:International Tables for X-ray Crystallography, vol. IV, Table 2.3.1., Kynoch Press, Birmingham, England (1974) (Distr.: D. Reidel, Dordrecht.)
D. L. Hughes and M. R. Truter:Acta Crystallogr. B39, 329 (1983).
N. K. Dalley, D. E. Smith, R. M. Izatt, and J. J. Christensen:J. Chem. Soc. Chem. Commun. 90 (1972).
M. Mercer and M. R. Mercer:J. Chem. Soc., Ealton Trans. 2215 (1973).
M. E. Harman, F. A. Hart, M. B. Hursthouse, G. P. Moss, and P. R. Raithby:J. Chem. Soc., Chem. Commun. 396 (1976).
G. C. De Villardi, P. Charpin, R.-M. Costes, G. Flocher, P. Plurien, P. Rigny, and C. De Rango:J. Chem. Soc. Chem. Commun. 90 (1978).
N. F. Krasnova, A. A. Dvorkin, Y. A. Simonov, V. M. Abaskin, and V. V. Yakshin:Kristallografiya 30, 86–90 (1985);Chem. Abst. 102, 158439j (1985).
R. D. Gandour, F. R. Fronczek, V. J. Gatto, C. Minganti, R. A. Schultz, B. D. White, K. A. Arnold, D. Mazzocchi, S. R. Miller, and G. W. Gokel:J. Am. Chem. Soc. 108, 4078 (1986).
F. Mathieu, B. Metz, D. Moras, and R. Weiss:J. Am. Chem. Soc. 100, 4412 (1978).
M. A. Bush and M. R. Truter:J. Chem. Soc. (A) 745 (1971).
E. K. Andersen and I. G. K. Andersen:Acta Crystallogr. B31, 391 (1975).
F. Iwasaki and Y. Kawano:Acta Crystallogr. B34, 1286 (1978).
D. L. Hughes:J. Chem. Soc., Dalton Trans. 2347 (1973).
D. L. Hughes:J. Chem. Soc., Dalton Trans. 2374 (1975).
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Supplementary Data relating to this article are deposited with the British Library as Supplementary Publication No. SUP 82043 (26 pages).
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Fronczek, F.R., Gandour, R.D., Gehrig, L.M.B. et al. Crystal structure of dicyclohexano-18-crown-6 potassium 2-nitrophenoxide. Journal of Inclusion Phenomena 5, 379–383 (1987). https://doi.org/10.1007/BF00665371
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DOI: https://doi.org/10.1007/BF00665371