Systematic structural analysis of a series of anion receptor complexes

Isabelle L. Kirby*, Mateusz B. Pitak, Marco Wenzel, Claire Wilson, Hazel A. Sparkes, Simon J. Coles, Philip A. Gale

*Corresponding author for this work

Research output: Contribution to journalArticle (Academic Journal)peer-review

12 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)9003-9010
Number of pages8
JournalCrystEngComm
Volume15
Issue number44
DOIs
Publication statusPublished - 2013

Keywords

  • INTERMOLECULAR INTERACTIONS
  • MOLECULAR-CRYSTALS
  • HIRSHFELD SURFACES

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