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Systematic structural analysis of a series of anion receptor complexes

DOI: 10.1039/c3ce41503a DOI Help

Authors: Isabelle L. Kirby (University of Southampton) , Mateusz B. Pitak (University of Southampton) , Marco Wenzel (University of Southampton) , Claire Wilson (Diamond Light Source) , Simon J. Coles (Southampton University) , Philip A Gale (University of Southampton) , Hazel A. Sparkes (Department of Chemistry, Durham University)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Crystengcomm

State: Published (Approved)
Published: August 2013

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 ð…ð stacking motifs observed across the structures.

Subject Areas: Chemistry, Materials

Instruments: I19-Small Molecule Single Crystal Diffraction

Added On: 04/09/2013 10:44

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