Abstract
Two isostructural complexes of dioxonium [H5O2]+ with tetrabenzo-30-crown-10 of the compositions [(tetrabenzo-30-crown-10 · H5O2)][TaF6] (I) and [(tetrabenzo-30-crown-10 · H5O2)][NbF6] (II) are studied using X-ray diffraction. The complexes crystallize in the monoclinic crystal system (space group C2/c, Z = 4). The unit cell parameters of these compounds are as follows: a = 15.6583(12) Å, b = 15.2259(13) Å, c = 16.4473(13) Å, and β = 99.398(6)° for complex I and a = 15.7117(12) Å, b = 15.2785(15) Å, c = 16.5247(15) Å, and β = 99.398(7)° for complex II. These complexes belong to the ionic type. The dioxonium cation [H5O2]+ in the form of the two-unit cluster [H3O · H2O]+ is stabilized by the strong hydrogen bond OH⋯O [O⋯O, 2.353(4) Å] and encapsulated by the crown ether. Each oxygen atom of the dioxonium cation also forms two oxygen bonds O⋯O(crown). The crown ether adopts an unusual two-level (pocket-like) conformation, which provides a complete encapsulation of the oxonium associate. The interaction of the cationic complex with the anion in the crystal occurs through contacts of the C-H⋯F type.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
Yu. A. Zolotov and N. M. Kuz’min, Macrocyclic Compounds in Analytical Chemistry (Nauka, Moscow, 1993) [in Russian].
S. V. Nesterov, Usp. Khim. 69(9), 840 (2000).
V. V. Yakshin, Koord. Khim. 28(10), 742 (2002) [Russ. J. Coord. Chem. 28 (10), 697 (2002)].
M. S. Fonari, N. G. Furmanova, Wen-Jwu Wang, et al., Kristallografiya 51(5), 856 (2006) [Crystallogr. Rep. 51 (5), 804 (2006)].
Ed. V. Ganin, V. O. Gelmboldt, L. V. Koroeva, et al., J. Inclusion Phenom. Macrocyclic. Chem. 56, 345 (2006).
M. S. Fonari, O. A. Alekseeva, N. G. Furmanova, et al., Kristallografiya 52(2), 271 (2007) [Crystallogr. Rep. 52 (2), 253 (2007)].
M. Calleja, K. Johnson, W. J. Belcher, and J. W. Steed, Inorg. Chem. 40, 4978 (2001).
K. Torizuka and T. Sato, Org. Magn. Reson. 12(4), 190 (1979).
G. W. Buchanan, A. Rodrigue, K. Bourque, et al., Can. J. Chem. 72, 1218 (1994).
CrysAlis: Software for Automated Data Collection and Reduction (Oxford Diffraction, Oxford, United Kingdom, 2006).
G. M. Sheldrick, SHELXS97 and SHELXL97: Programs for the Solution and Refinement of Crystal Structures (University of Göttingen, Göttingen, Germany, 1997).
V. S. Sergienko, A. B. Ilyukhin, A. V. Luzikova, and M. A. Poraĭ-Koshits, Koord. Khim. 17, 1489 (1991).
F. H. Allen, Acta Crystallogr., Sect. B: Struct. Sci. 58, 380 (2002).
O. Reich, S. Hasche, S. Bonmann, and B. Krebs, Z. Anorg. Allg. Chem. 624, 411 (1998).
R. D. Rogers, A. H. Bond, W. G. Hipple, et al., Inorg. Chem. 30, 2671 (1991).
J. L. Atwood, S. G. Bott, K. D. Robinson, et al., J. Crystallogr. Spectrosc. Res. 21, 459 (1991).
A. Hammerschmidt, S. Bonmann, M. Lage, and B. Krebs, Z. Anorg. Allg. Chem. 630, 2035 (2004).
M. C. Bheda, J. S. Merola, W. A. Woodward, et al., J. Org. Chem. 59, 694 (1994).
P. C. Junk and J. L. Atwood, J. Chem. Soc., Dalton Trans. (1972–1999), 4393 (1997).
Author information
Authors and Affiliations
Corresponding author
Additional information
Original Russian Text © N.G. Furmanova, M.Kh. Rabadanov, T.S. Chernaya, M.S. Fonari, Yu.A. Simonov, É.V. Ganin, V.O. Gelmboldt, R.Ya. Grigorash, S.A. Kotlyar, G.L. Kamalov, 2008, published in Kristallografiya, 2008, Vol. 53, No. 2, pp. 273–278.
Rights and permissions
About this article
Cite this article
Furmanova, N.G., Rabadanov, M.K., Chernaya, T.S. et al. Crystal structures of dioxonium hexafluorotantalate and dioxonium hexafluoroniobate complexes with tetrabenzo-30-crown-10. Crystallogr. Rep. 53, 246–252 (2008). https://doi.org/10.1134/S1063774508020120
Received:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S1063774508020120