Abstract
The crystal structure of N,N′-di(2-hydroxyethyl)-4,4′-dipyridylium diperchlorate C14H18Cl2N2O10 is determined by X-ray diffraction at 293 K. The crystals are monoclinic, a = 6.446(1) Å, b = 14.479(3) Å, c = 9.912(1) Å, β = 99.24(2)°, space group P21/c, and Z = 2; 1562 reflections measured; and wR2 = 0.086 and R1 = 0.033 for 1209 reflections with F > 4σ(F). It is found that, in the absence of charge transfer from the counterion to the dication, the planarity of the dipyridylium skeleton of the molecule is primarily due to the conjugation between the lone electron pairs of the hydroxyl groups and the π system of the dication. This inference is supported by the intramolecular O⋯N contact (2.847 Å).
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Translated from Kristallografiya, Vol. 46, No. 3, 2001, pp. 448–451.
Original Russian Text Copyright © 2001 by Vishnyakov, A. Polishchuk, I. Polishchuk, Grineva.
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Vishnyakov, A.Y., Polishchuk, A.P., Polishchuk, I.Y. et al. Electron effects of the substituents on the structure of 4,4′-dipyridylium dications. Crystallogr. Rep. 46, 398–401 (2001). https://doi.org/10.1134/1.1376468
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DOI: https://doi.org/10.1134/1.1376468