The University of Southampton
University of Southampton Institutional Repository

Systematic structural analysis of a series of anion receptor complexes

Systematic structural analysis of a series of anion receptor complexes
Systematic structural analysis of a series of anion receptor complexes
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 center dot center dot center dot 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 pi center dot center dot center dot pi stacking motifs observed across the structures.
1466-8033
9003-9010
Kirby, Isabelle L.
fb76f041-1cd5-4341-ba61-3e34b0927fc7
Pitak, Mateusz B.
eeb6a00f-2291-4376-830f-d30dfd607ed1
Wenzel, Marco
d1c2d66d-80a9-4d77-88c6-5c25fbaac546
Wilson, Claire
6be18134-9a9f-4d19-8197-0593a648773f
Sparkes, Hazel A.
9066ec9b-6904-49ac-b650-04d4b5424b73
Coles, Simon J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Gale, Philip A.
c840b7e9-6847-4843-91af-fa0f8563d943
Kirby, Isabelle L.
fb76f041-1cd5-4341-ba61-3e34b0927fc7
Pitak, Mateusz B.
eeb6a00f-2291-4376-830f-d30dfd607ed1
Wenzel, Marco
d1c2d66d-80a9-4d77-88c6-5c25fbaac546
Wilson, Claire
6be18134-9a9f-4d19-8197-0593a648773f
Sparkes, Hazel A.
9066ec9b-6904-49ac-b650-04d4b5424b73
Coles, Simon J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Gale, Philip A.
c840b7e9-6847-4843-91af-fa0f8563d943

Kirby, Isabelle L., Pitak, Mateusz B., Wenzel, Marco, Wilson, Claire, Sparkes, Hazel A., Coles, Simon J. and Gale, Philip A. (2013) Systematic structural analysis of a series of anion receptor complexes. CrystEngComm, 15 (44), 9003-9010. (doi:10.1039/c3ce41503a).

Record type: Article

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 center dot center dot center dot 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 pi center dot center dot center dot pi stacking motifs observed across the structures.

Full text not available from this repository.

More information

e-pub ahead of print date: 29 August 2013
Published date: 28 November 2013
Organisations: Organic Chemistry: Synthesis, Catalysis and Flow, Chemistry

Identifiers

Local EPrints ID: 362507
URI: http://eprints.soton.ac.uk/id/eprint/362507
ISSN: 1466-8033
PURE UUID: 9da6ad7e-fa9a-4f92-bb9c-8146cc4129d5
ORCID for Mateusz B. Pitak: ORCID iD orcid.org/0000-0002-3680-7100
ORCID for Simon J. Coles: ORCID iD orcid.org/0000-0001-8414-9272
ORCID for Philip A. Gale: ORCID iD orcid.org/0000-0001-9751-4910

Catalogue record

Date deposited: 26 Feb 2014 12:18
Last modified: 18 Feb 2021 16:55

Export record

Altmetrics

Contributors

Author: Isabelle L. Kirby
Author: Mateusz B. Pitak ORCID iD
Author: Marco Wenzel
Author: Claire Wilson
Author: Hazel A. Sparkes
Author: Simon J. Coles ORCID iD
Author: Philip A. Gale ORCID iD

University divisions

Download statistics

Downloads from ePrints over the past year. Other digital versions may also be available to download e.g. from the publisher's website.

View more statistics

Atom RSS 1.0 RSS 2.0

Contact ePrints Soton: eprints@soton.ac.uk

ePrints Soton supports OAI 2.0 with a base URL of http://eprints.soton.ac.uk/cgi/oai2

This repository has been built using EPrints software, developed at the University of Southampton, but available to everyone to use.

We use cookies to ensure that we give you the best experience on our website. If you continue without changing your settings, we will assume that you are happy to receive cookies on the University of Southampton website.

×