Hierarchy of hydrogen bonding in bis(1,4,7-trioxa-10-azoniacyclododecane) bis(4-aminobenzoate) trihydrate

Acta Crystallogr C. 2006 Jan;62(Pt 1):o50-2. doi: 10.1107/S0108270105040667. Epub 2005 Dec 24.

Abstract

In the title compound, 2C8H18NO3+.2C7H6NO2-.3H2O, proton transfer occurs from the carboxylic acid group of the 4-aminobenzoic acid (PABA) molecule to the amine group of the macrocycle, resulting in the formation of a salt-like adduct. The anions are combined into helical chains which are further bound by the water molecules into sheets. The macrocyclic cations are situated between these layers and are bound to the anions both directly and via bridging water molecules. The structure exhibits a diverse system of hydrogen bonding.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • 4-Aminobenzoic Acid / chemistry
  • Aminobenzoates / chemistry*
  • Crystallography, X-Ray
  • Hydrogen Bonding
  • Macrocyclic Compounds / chemistry*
  • Molecular Structure
  • para-Aminobenzoates

Substances

  • Aminobenzoates
  • Macrocyclic Compounds
  • para-Aminobenzoates
  • 4-Aminobenzoic Acid