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Titolo:
SYNTHESIS AND CRYSTAL-STRUCTURE OF (R)-TH IAZOLIDINE-2-THIONE-4-CARBOXYLIC ACID
Autore:
LI YZ; GUO CX; HU XS; HUANG HM;
Indirizzi:
JILIN UNIV,DEPT CHEM CHANGCHUN 130023 PEOPLES R CHINA
Titolo Testata:
Gaodeng xuexiao huaxue xuebao
fascicolo: 6, volume: 18, anno: 1997,
pagine: 898 - 901
SICI:
0251-0790(1997)18:6<898:SACO(I>2.0.ZU;2-0
Fonte:
ISI
Lingua:
CHI
Keywords:
(R)-THIAZOLIDINE-2-THIONE-4-CARBOXYLIC ACID; CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; FRONTIER ORBITAL;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
3
Recensione:
Indirizzi per estratti:
Citazione:
Y.Z. Li et al., "SYNTHESIS AND CRYSTAL-STRUCTURE OF (R)-TH IAZOLIDINE-2-THIONE-4-CARBOXYLIC ACID", Gaodeng xuexiao huaxue xuebao, 18(6), 1997, pp. 898-901

Abstract

The title compound with [alpha](D)(20) - 87.5 degrees and yield 66% was prepared by the reaction of L-cysteine hydrochloride monohydrate and carbondisulfide in the presence of sodium hydroxide and cupric sulfate hydrate. The crystal structure was determined by X-ray diffraction method. The crystal is orthorhombic system, space group Pz(1)z(1)z(1),alpha = 0.502 9(2) nm, b = 0.774 9(5) nm, c = 1.630 0(5) nm, V = O.635 0(5) nm(3), z = 4. The electronic structure of the title compound was studied by molecular orbital PM3 method. The nature of the near frontier orbital and distribution of the calculated net charges and bond orders were obtained. The active site was described.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 05/07/20 alle ore 07:35:55