Does a Molecule have the Same Conformation in the Crystalline State and in Solution? Comparison of NMR Results for the Solid State and Solution with those of the X‐ray Structural Determination | Zendy

Kessler Horst | Zendy; Zimmermann Gottfried | Zendy; Förster Hans | Zendy; Engel Jürgen | Zendy; Oepen Gerhard | Zendy; Sheldrick William S. | Zendy

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Does a Molecule have the Same Conformation in the Crystalline State and in Solution? Comparison of NMR Results for the Solid State and Solution with those of the X‐ray Structural Determination

Author(s) -

Kessler Horst,

Zimmermann Gottfried,

Förster Hans,

Engel Jürgen,

Oepen Gerhard,

Sheldrick William S.

Publication year - 1981

Publication title -

angewandte chemie international edition in english

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 0570-0833

DOI - 10.1002/anie.198110531

Subject(s) - solid state , solid state nuclear magnetic resonance , molecule , dissolution , crystallography , nuclear magnetic resonance spectroscopy , chemistry , amide , crystal structure , spectroscopy , materials science , stereochemistry , nuclear magnetic resonance , physics , organic chemistry , quantum mechanics

The comparison of structures in the solid state and in solution by one method—NMR spectroscopy — enabled unequivocal demonstration of structural changes on dissolution of a solid compound. Thus, e.g. , in the crystal the vinylogous amide (R = C 6 H 11 ) investigated is E ‐configurated at the CC double bond; in solution a Z‐form is most stable.

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