Accession Number : AD0694267

Title :   THE CRYSTAL STRUCTURE OF 1,5-ENDOMETHYLENEQUINOLIZIDINIUM p-TOLUENESULPHONATE,

Corporate Author : NATIONAL RESEARCH COUNCIL OF CANADA OTTAWA (ONTARIO) DIV OF PURE CHEMISTRY

Personal Author(s) : Huber,Carol Saunderson

Report Date : 20 JUN 1968

Pagination or Media Count : 12

Abstract : The tosyl ester of the alkaloid lupinine cyclizes when heated, and the rearrangement product has been shown by a three-dimensional structure analysis to be 1,5-endomethylenequinolizidinium p-toluenesulphonate, (C10H18N)(+)(C7H7SO3)(-). The heavy-atom method was used to solve the structure, and refinement by block-diagonal least-squares techniques led to a final residual of 0.067 for 1793 observed reflexions. The two trans-fused six-membered rings comprising the quinolizidine ring system are in distorted chair forms, and the four-membered ring is puckered. The ions are arranged in pleated sheets, each positively charged region in one sheet facing a negatively charged region in an adjacent sheet. (Author)

Descriptors :   (*ALKALOIDS, *CRYSTAL STRUCTURE), CHEMICAL BONDS, MOLECULAR STRUCTURE, NITROGEN HETEROCYCLIC COMPOUNDS, X RAY DIFFRACTION, CANADA

Subject Categories : Crystallography

Distribution Statement : APPROVED FOR PUBLIC RELEASE