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 ··· 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.
9003-9010
Kirby, Isabelle L.
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Pitak, Mateusz B.
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Wenzel, Marco
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Wilson, Claire
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Sparkes, Hazel A.
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Coles, Simon J.
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Gale, Philip A.
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28 November 2013
Kirby, Isabelle L.
fb76f041-1cd5-4341-ba61-3e34b0927fc7
Pitak, Mateusz B.
eeb6a00f-2291-4376-830f-d30dfd607ed1
Wenzel, Marco
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Wilson, Claire
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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), .
(doi:10.1039/c3ce41503a).
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.
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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
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Date deposited: 26 Feb 2014 12:18
Last modified: 15 Mar 2024 03:06
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Contributors
Author:
Isabelle L. Kirby
Author:
Mateusz B. Pitak
Author:
Marco Wenzel
Author:
Claire Wilson
Author:
Hazel A. Sparkes
Author:
Philip A. Gale
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