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2-(Phenylethyl)ammonium hydrogensquarate hemihydrate: crystal structure, solid-state IR-spectroscopic and theoretical characterization

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Abstract

The title compound, 2-(phenylethyl)ammonium hydrogensquarate hemihydrate, was synthesized and structurally and spectroscopically characterized by a single crystal X-ray diffraction and solid-state polarized IR spectroscopy of oriented colloids in a nematic host. The crystal structure consists of two crystallographically independent 2-(phenylethyl)ammonium cations, joined in a 2D hydrogen-bonded network with hydrogensquarate anions and solvent water molecules. Surprisingly, the crystallographically non-equivalent cations exhibit differing pseudo T and G trans configurations.

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Acknowledgments

B.I. wishes to thank the Alexander von Humboldt Foundation for a Fellowship as well as the DAAD for an equipment support within the priority program “Stability Pact South-Eastern Europe”. M.S. thanks the DAAD for a Grant within the priority program “Stability Pact South-Eastern Europe” and the DFG under the Grant number SP 255/21-1

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Authors and Affiliations

  1. Institut für Umweltforschung, Universität Dortmund, Otto-Hahn-Strasse 6, 44221, Dortmund, Germany

    Bojidarka B. Ivanova, Tsonko Kolev & Michael Spiteller

  2. Lehrstuhl für Analytische Chemie, Ruhr-Universität Bochum, Universitätsstraße 150, 44780, Bochum, Germany

    Bojidarka B. Ivanova, Rüdiger W. Seidel & William Sheldrick

Authors
  1. Bojidarka B. Ivanova
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  2. Rüdiger W. Seidel
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  3. Tsonko Kolev
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  4. William Sheldrick
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  5. Michael Spiteller
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Corresponding authors

Correspondence to Bojidarka B. Ivanova or Michael Spiteller.

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726_2009_451_MOESM1_ESM.txt

Crystallographic data for the structural analysis have been deposited with the Cambridge Crystallographic Data Centre, CCDC 730214. Copies of this information may be obtained from the Director, CCDC, 12 Union Road, Cambridge, CB2 1EZ, UK (Fax: +44-1223-336033; e-mail: deposit@ccdc.cam.ac.uk or http://www.ccdc.cam.ac.uk) (TXT 19 kb)

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Ivanova, B.B., Seidel, R.W., Kolev, T. et al. 2-(Phenylethyl)ammonium hydrogensquarate hemihydrate: crystal structure, solid-state IR-spectroscopic and theoretical characterization. Amino Acids 39, 309–314 (2010). https://doi.org/10.1007/s00726-009-0451-4

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