Abstract
The structure of a single crystal of the acetonitrile solvate monohydrate of the potassium iodide complex with benzo-15-crown-5 ether dye based on methylquinoline iodide (I) is determined by X-ray diffraction. It is established that the single crystal contains positively charged molecules of benzocrown ether photodye (D), K+ cations, I− anions, and water and acetonitrile solvate molecules in the ratio 1: 0.5: 1.5: 1: 1, respectively. The K+ cation and one of the I− anions occupy special positions along the twofold axis. The K+ cation is coordinated by ten oxygen atoms of the crown ether fragments of two D molecules to form the [D 2K]3+ complex. Inside the complex, two aromatic quinoline fragments are involved in a stacking interaction. The crossed mutual arrangement of the ethylene fragments and the considerable distance between them exclude the occurrence of intramolecular photochemical [2 + 2]cycloaddition reactions. In the crystal, the [D 2K]3+ cationic complexes form stacks along the b axis. The adjacent complexes in a stack are related through the center of symmetry and, therefore, are arranged in a head-to-tail manner. The double bonds of the neighboring molecular cations D in a stack are strictly parallel to each other and are separated by a distance of 3.754 Å. This geometry is favorable to the intermolecular cycloaddition reaction that should result in the formation of the syn head-to-tail isomer.
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Translated from Kristallografiya, Vol. 48, No. 4, 2003, pp. 664–673.
Original Russian Text Copyright © 2003 by Kuz'mina, Churakov, Howard, Fedorova, Gromov, Alfimov.
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Kuz'mina, L.G., Churakov, A.V., Howard, J.A.K. et al. Supramolecular architecture of crown-containing styryl dyes: Part I. Crystal and molecular structures of the acetonitrile solvate monohydrate of the potassium iodide complex with benzo-15-crown-5 ether dye based on methylquinoline iodide. Crystallogr. Rep. 48, 613–622 (2003). https://doi.org/10.1134/1.1595189
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DOI: https://doi.org/10.1134/1.1595189