## Abstract Temperature‐dependent ^1^H‐ and ^13^C‐NMR spectra of the title compound are presented. Coalescence effects are discussed and assigned to two dynamic processes: (a) ring inversion of the nine‐membered ring, (b) racemization of the enantiomeric ground‐state conformations of the nine‐membe
Conformational analysis of benzoannulated nine-membered rings: Part 2. X-ray analysis and force-field calculations of 1,4,5,7-tetrahydro-3H-2,6-benzodithionin and its derivatives
✍ Scribed by Barbara Rys; Edward Szneler; Jacek Grochowski; Paweł Serda; Helmut Duddeck
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 502 KB
- Volume
- 271
- Category
- Article
- ISSN
- 0022-2860
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## Abstract Temperature‐dependent ^1^H and ^13^C NMR spectra of the title compounds are presented. The coalescence effects in the spectra are discussed and assigned to the racemization of the __C__~2~ symmetry conformation of the nine‐membered ring. The barrier of this process is __ca__. 64 kJ mol^
X-ray crystallographic analyses are reported for the two title compounds (8 and 9), of which the former crystallized in two modifications (8n and 8b). In all three structures, the pyranose rings have the %, (D) conformation and the substituents at C-l are axial and those at C-24-4 are equatorial. Th