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Preparation and disordered crystal structure of (18-crown-6)ammonium isothiocyanate hemihydrate

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Abstract

A crystalline complex salt, (18-crown-6)ammonium isothiocyanate hemihydrate [NH +4 (18C6)]·SCN−·0.5H2O, was prepared and studied by single-crystal X-ray diffraction. The crystal structure of this salt is highly disordered: Almost all the constituents (except the water molecule) are disordered over two different orientations: major and less occupied or weakly occupied. The geometric parameters (bond lengths, bond angles, etc.) of the molecular and ionic constituents of the salt were determined with reasonable accuracy, and the crystal packing was elucidated. The sale forms in the crystal a complex tetrahedral supramolecular hydrogen-bonded structure consisting of one water molecule, two complex cations [NH +4 (18C6)], and two SCN− anions.

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Authors and Affiliations

  1. Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Moscow oblast, 142432, Russia

    A. N. Chekhlov

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  1. A. N. Chekhlov
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Original Russian Text © A.N. Chekhlov, 2006, published in Zhurnal Obshchei Khimii, 2006, Vol. 76, No. 1, pp. 64–68.

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Chekhlov, A.N. Preparation and disordered crystal structure of (18-crown-6)ammonium isothiocyanate hemihydrate. Russ J Gen Chem 76, 59–63 (2006). https://doi.org/10.1134/S1070363206010130

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  • DOI: https://doi.org/10.1134/S1070363206010130

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