HETEROCYCLES

Heterocycles has a pay-per-view service for Non-subscribers.
You will be able to directly purchase the full text article through PayPal.
Your purchased Paper can be downloaded after the payment is completed.
An e-mail will be sent the URL to download the paper.
If you have any questions, please contact: purchase@heterocycles.com

Price: ¥ 4,400 (Yen only)
Period: This Article can be accessed for 7 days.

■ Crystal and Molecular Structures of Racemic and Chiral 4-Phenyl-1,3-thiazolidine-2-thione

Ko-Ki Kunimoto,* Soh-ichi Kitoh, Masaki Ichitani, Norio Funaki, Akio Kuwae, and Kazuhiko Hanai

*Department of Chemistry and Chemical Engineering, Faculty of Technology, Kanazawa University, Kakumamachi, Kanazawa 920-1192, Japan

Abstract

The crystal and molecular structures of (rac)- and (S)-4-phenyl-1,3-thiazolidine-2-thiones (4-PTT) have been studied by X-Ray diffraction and ab initio MO calculations at the level of HF/6-31G*. In racemic crystals, the thioamide groups of the enantiomeric (R)- and (S)-4-PTT pairs are hydrogen-bonded around a crystallographic center of symmetry to form a planar cyclic dimer. On the other hand, in (S)-4-PTT crystals, a cyclic dimer through the hydrogen bonding is formed between the two independent molecules (molecules A and B) in the asymmetric unit and its geometry is distorted.