The enantioselectivity of the autocatalytic alkylation of 2-tert-butylpyrimidyl-5-carbaldehyde, initiated by chiral crystals of N-(2-thienylcarbonyl)glycine, is predicted computationally. The results are in accord with the correlation of the stereochemical outcome of the reaction and the absolute structure of the crystals determined by the anomalous dispersion of X-rays and circular dichroism spectroscopy.
|Original language||English (US)|
|Number of pages||8|
|Journal||Crystal Growth and Design|
|State||Published - Apr 4 2012|
ASJC Scopus subject areas
- Materials Science(all)
- Condensed Matter Physics