SYNTHESIS AND CRYSTAL-STRUCTURE OF LUORENYLMETHOXYCARBONYL)-1,3-THIAZOLIDINE-2-THIONE

Citation
Yz. Li et al., SYNTHESIS AND CRYSTAL-STRUCTURE OF LUORENYLMETHOXYCARBONYL)-1,3-THIAZOLIDINE-2-THIONE, Huaxue xuebao, 56(7), 1998, pp. 655-661
Citations number
3
Categorie Soggetti
Chemistry
Journal title
ISSN journal
05677351
Volume
56
Issue
7
Year of publication
1998
Pages
655 - 661
Database
ISI
SICI code
0567-7351(1998)56:7<655:SACOL>2.0.ZU;2-V
Abstract
The title compound (FmocTT) was synthesized by reacting 9-fluorenylmet hoxycarbonyl chloride with 1,3-thiazolidine-2-thione in the presence o f pyridine. The crystal structure of FmocTT was determined by X-ray di ffraction method. The crystal is orthorhombic system,space group Pca2( 1) with a = 0. 9654 (2), b = 2. 8032(1), c = 0. 6069(2)nm, Z=4.The C=O and C=S groups are located in the same sides of C(3)-N-C (4) bond, wi th cis-configuration. The electronic structure of the title compound w as studied by PM3 molecular orbital method. Nature of the near frontie r orbital and distribution of:the calculated net charges and bond orde rs were obtained.