CRYSTAL AND MOLECULAR STRUCTURE OF IODOPROTATRANE: TRIS(2-HYDROXYETHYL)AMMONIUM IODIDE
M. G. Voronkov1, A. A. Korlyukov2, Г€. A. Zel’bst3, V. S. Fundamenskii1, X. Borrmann4, D. E. Arkhipov2, Ya. V. Agapova1, T. A. Kochina1
1A. V. Grebenshchikov Institute of Silicate Chemistry, Russian Academy of Sciences, St. Petersburg
2A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Moscow
3East Siberian State Academy of Education, Irkutsk
4Max Planck Institute for the Chemical Physics of Solids, Dresden
Keywords: tris(2-hydroxyethyl)ammonium salts, iodoprotatrane, molecular structure, single crystal X-ray diffraction study
Abstract
By X-ray diffraction the crystal and molecular structure of iodoprotatrane ( tris(2-hydroxyethyl)ammonium iodide I[HN(CH2CH2OH)3]+ (IP) at 120 K and 293 K is determined. The IP cation, as in all protatranes, has the endo conformation. The N-H bond is surrounded by three CH2CH2OH groups. The stability of this configuration is explained by the intramolecular trifurcated inductive interaction with three oxygen atoms through the space of the nitrogen atom. In the IP crystal packing, each iodine anion is linked by three strong OH…I (2.63 Å) and three weak I…H (3.13 Å) hydrogen bonds with six cations from the CH2N group. This indicates a greater nucleophilicity of the iodine atom.
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