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BY-NC-ND 3.0 license Open Access Published by De Gruyter June 2, 2014

The Crystal and Molecular Structure of 2-{8-(2-Aminophenoxy)-3,6-dioxaoctyloxy}benzoic Acid · NaClO4, a Linear Polyether with Terminal Amino and Carboxyl Functions

  • K. K. Chacko and W. Saenger

Abstract

The title compound, C19H23NO6 · NaClO4, crystallizes in the monoclinic space group P21/c with cell dimensions a = 16.374(5), b = 9.856(4), c = 27.245(8) Å, β = 91.88(5)° and Z = 8. The structure of this polyether complex was solved on the basis of 4501 diffractometer measured reflections and refined to an Rw of 0.091. There are two molecules per asymmetric unit which are related to each other by an approximate non-crystallographic centre of symmetry. Both complex molecules exist in the favourable zwitterion configuration with ion pair attraction between the amino (NH3+) and carboxyl(COO -) end groups of the polyether ligand. The Na+ion is circulary coordinated to all except the oxygen atoms of the aminophenoxy end group of the polyether ligand suggesting that this oxygen has reduced electronegativity. All C-C and C-O bonds of the ligand exist in favourable gauche and trans conformations.

Received: 1980-10-20
Published Online: 2014-6-2
Published in Print: 1981-1-1

© 1946 – 2014: Verlag der Zeitschrift für Naturforschung

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