Abstract
Tris-(2-hydroxyethyl)ammonium 4-chlorophenoxy acetate has been synthesized and characterized by 1H NMR spectra. The molecular structure of this compound has been established by single-crystal X-ray diffractometry (a = 7.5298(23) Å, b = 22.8112(46) Å, c = 10.0921(16) Å, β = 111.42(2)°, V = 1613.7(7) Å3, sp. gr. P21/c, d calcd = 1.382 g/cm3). In a cation, the hydrogen atom, in the presence of a nitrogen atom, forms three intramolecular hydrogen bonds with the O atoms of hydroxyl groups [2.29(3)–2.31(3) Å]. At the same time, all three cation hydroxyl groups are involved in the formation of three intermolecular H bonds with oxygen atoms of the carboxyl anion group [H-O = 1.81(5)−2.06(4) Å].
Similar content being viewed by others
References
M. G. Voronkov and V. P. Baryshok, Vestn. Ross. Akad. Nauk, 80(11), 985 (2010).
G. L. Starova, O. V. Frank-Kamenetskaya, V. S. Fundamenskii, et al., Dokl. Akad. Nauk SSSR, 260(4), 888 (1981).
S. V. Loginov, V. D. Sheludyakov, A. M. Abramkin, et al., Khim. Prom. Segodnya, No. 4, 25 (2011).
CAD4 Software (Enraf-Nonius, Delft, The Netherlands, 1994).
K. Harms and S. Wocaldo, XCAD4 (University of Marburg, Marburg, 1995).
G. M. Sheldrick, Acta Crystallogr. A 64, 112 (2008).
N. Walker and D. Stuart, Acta Crystallogr. A 39, 158 (1983).
L. J. Farrugia, J. Appl. Crystallogr. 30, 565 (1997).
F. R. Allen, Acta Crystallogr. B. 58, 380 (2002).
L. J. Farrugia, J. Appl. Crystallogr. 32, 837 (1999).
Author information
Authors and Affiliations
Corresponding author
Additional information
Original Russian Text © S.V. Loginov, A.M. Abramkin, V.B. Rybakov, V.D. Sheludyakov, P.A. Storozhenko, 2012, published in Kristallografiya, 2012, Vol. 57, No. 4, pp. 590–592.
Rights and permissions
About this article
Cite this article
Loginov, S.V., Abramkin, A.M., Rybakov, V.B. et al. Molecular and crystal structure of tris-(2-hydroxyethyl)ammonium 4-chlorophenoxy acetate. Crystallogr. Rep. 57, 521–523 (2012). https://doi.org/10.1134/S1063774512040141
Received:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S1063774512040141