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Crystal structure of 4,7,13,16,21,24-hexaoxa-1-aza-10-azoniabicyclo[8.8.8]hexacosane monohydrate picrate

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Abstract

The crystal structure of 4,7,13,16,21,24-hexaoxa-1-aza-10-azoniabicyclo[8.8.8]hexacosane monohydrate picrate, [H(Crypt-222) H2O]+·Pic− (I), has been studied by X-ray crystallography. The structure of I (space group P21/c, a = 9.336 Å, b = 19.497 Å, c = 16.420 Å; β = 94,84°, Z = 4) was solved by direct methods and refined by full-matrix least squares in an anisotropic approximation to R = 0.056 for all 3877 independent reflections collected (CAD-4 automatic diffractometer, λMoK α). This compound is one of the few representatives of the class of crystal salts containing a 2.2.2-cryptand cation with a protonated nitrogen atom that have been synthesized and studied by X-ray crystallography. The void of the cation contains a water molecule held by three H bonds. Crystal I also has unusual H bonds of C-H…O type that link the neighboring 2.2.2-cryptand cation and the picrate anion.

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Authors and Affiliations

  1. Institute of Chemical Physics Problems, Russian Academy of Sciences, Chernogolovka

    A. N. Chekhlov

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  1. A. N. Chekhlov
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Original Russian Text Copyright © 2006 by A. N. Chekhlov

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Translated from Zhurnal Strukturnoi Khimii, Vol. 47, No. 3, pp. 526–531, May–June, 2006.

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Chekhlov, A.N. Crystal structure of 4,7,13,16,21,24-hexaoxa-1-aza-10-azoniabicyclo[8.8.8]hexacosane monohydrate picrate. J Struct Chem 47, 513–518 (2006). https://doi.org/10.1007/s10947-006-0330-8

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  • DOI: https://doi.org/10.1007/s10947-006-0330-8

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