Issue 44, 2013

Systematic structural analysis of a series of anion receptor complexes

Abstract

A crystallographic systematic study of a series of 6 anion receptor complexes has been performed, with the accurate atomic positions and displacement parameters of the hydrogen atoms for two complexes determined by neutron diffraction studies. The N–H⋯anion hydrogen bonding interaction is shown to be central to the geometry of the urea unit. Contributions of the intermolecular interactions to the packing of the molecule are highlighted by correlation to the Hirshfeld surfaces and their fingerprint plots, with alterations to the position and amount of nitro substitution on the receptor shown to affect the π⋯π stacking motifs observed across the structures.

Graphical abstract: Systematic structural analysis of a series of anion receptor complexes

Supplementary files

Article information

Article type
Paper
Submitted
29 Jul 2013
Accepted
23 Aug 2013
First published
29 Aug 2013

CrystEngComm, 2013,15, 9003-9010

Systematic structural analysis of a series of anion receptor complexes

I. L. Kirby, M. B. Pitak, M. Wenzel, C. Wilson, H. A. Sparkes, S. J. Coles and P. A. Gale, CrystEngComm, 2013, 15, 9003 DOI: 10.1039/C3CE41503A

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