In:
Zeitschrift für Naturforschung B, Walter de Gruyter GmbH, Vol. 59, No. 1 ( 2004-1-1), p. 100-105
Abstract:
The first X-ray structure analysis of authentic, not derivatized (racemic) trans-isoshinanolone, a wide-spread acetogenic tetralone, is described. In the crystal, two slightly different conformers are found, along with the corresponding enantiomers. The ‘homomeric’ conformers differ by their H-bonding interactions with the respective neighboring molecules. Rows of a single enantiomeric species, but with the two conformers linked ‘head-to-head’, ‘tail-to-tail’, are surrounded by four analogous rows of the corresponding enantiomers. Apparently the interactions between these heterochiral rows are the reason for the enhanced crystallization tendency of the racemate as compared to that of enantiomerically pure isoshinanolone. The structures in the crystal are compared with those calculated (gas phase) and with the structure in solution.
Type of Medium:
Online Resource
ISSN:
1865-7117
,
0932-0776
DOI:
10.1515/znb-2004-0114
Language:
English
Publisher:
Walter de Gruyter GmbH
Publication Date:
2004
detail.hit.zdb_id:
2078109-X
detail.hit.zdb_id:
124635-5