High-resolution 13C N.M.R. spectroscopy and x-ray crystallography of complexes formed by NN′-dimethyl-1,7-diaza-4,10- dioxacyclododecane

Janet C. Metcalfe, J. Fraser Stoddart*, Geraint Jones, William E. Hull, Ana Atkinson, Ian S. Kerr, David J. Williams

*Corresponding author for this work

Research output: Contribution to journalArticle

18 Citations (Scopus)

Abstract

Results obtained from an X-ray crystal structure determination of the 1:1 complex formed between NN′-dimethyl-1,7-diaza-4,10-dioxacyclododecane (1) and benzylammonium thiocyanate and dynamic 13C n m r spectroscopy in CD2Cl2 of the 1:1 complex formed between (1) and (S)-α-phenylethylammonium perchlorate vindicate the constitutional and configurational validity of two-point binding with syn stereochemistry between the host and guest species but indicate that conformational isomerism can occur within the host species of such complexes.

Original languageEnglish (US)
Pages (from-to)540-543
Number of pages4
JournalJournal of the Chemical Society, Chemical Communications
Issue number12
DOIs
StatePublished - Jan 1 1980

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Isomerism
Crystallography
Stereochemistry
Nuclear magnetic resonance spectroscopy
Spectrum Analysis
Magnetic Resonance Spectroscopy
Crystal structure
X-Rays
Spectroscopy
X rays
perchlorate
thiocyanate
Carbon-13 Magnetic Resonance Spectroscopy

ASJC Scopus subject areas

  • Molecular Medicine

Cite this

Metcalfe, Janet C. ; Stoddart, J. Fraser ; Jones, Geraint ; Hull, William E. ; Atkinson, Ana ; Kerr, Ian S. ; Williams, David J. / High-resolution 13C N.M.R. spectroscopy and x-ray crystallography of complexes formed by NN′-dimethyl-1,7-diaza-4,10- dioxacyclododecane. In: Journal of the Chemical Society, Chemical Communications. 1980 ; No. 12. pp. 540-543.
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abstract = "Results obtained from an X-ray crystal structure determination of the 1:1 complex formed between NN′-dimethyl-1,7-diaza-4,10-dioxacyclododecane (1) and benzylammonium thiocyanate and dynamic 13C n m r spectroscopy in CD2Cl2 of the 1:1 complex formed between (1) and (S)-α-phenylethylammonium perchlorate vindicate the constitutional and configurational validity of two-point binding with syn stereochemistry between the host and guest species but indicate that conformational isomerism can occur within the host species of such complexes.",
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High-resolution 13C N.M.R. spectroscopy and x-ray crystallography of complexes formed by NN′-dimethyl-1,7-diaza-4,10- dioxacyclododecane. / Metcalfe, Janet C.; Stoddart, J. Fraser; Jones, Geraint; Hull, William E.; Atkinson, Ana; Kerr, Ian S.; Williams, David J.

In: Journal of the Chemical Society, Chemical Communications, No. 12, 01.01.1980, p. 540-543.

Research output: Contribution to journalArticle

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