CONFORMATIONAL-ANALYSIS OF N-METHYLPYRROLIDINE BETAINE HYDROCHLORIDE BY X-RAY-DIFFRACTION AND AB-INITIO CALCULATIONS

Authors
DEGASZAFRAN Z RATAJCZAKSITARZ M PRAWNICZAK L KOSTURKIEWICZ Z KOPUT J SZAFRAN M
Citation
Z. Degaszafran et al., CONFORMATIONAL-ANALYSIS OF N-METHYLPYRROLIDINE BETAINE HYDROCHLORIDE BY X-RAY-DIFFRACTION AND AB-INITIO CALCULATIONS, Journal of chemical research. Synopses (Print), (6), 1998, pp. 296
Citations number
51
Categorie Soggetti
Chemistry
Journal title
Journal of chemical research. Synopses (Print) → ACNP
ISSN journal
03082342
Issue
6
Year of publication
1998
Database
ISI
SICI code
0308-2342(1998):6<296:CONBHB>2.0.ZU;2-D
Abstract
The structure of the title compound in the solid state and its five mo st stable conformers in the gas phase have been analysed by X-ray diff raction, and by MP2/6-31G(d,p) and BLYP/6-31G(d,p) calculations, respe ctively.