Molecular and crystal structure of tris-(2-hydroxyethyl)ammonium 4-chlorophenoxy acetate

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, dcalcd = 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].