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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.