Accession Number : AD0739634

Title :   The Crystal Structure and Absolute Configuration of 1-p-Nitrophenyl-1-3-Methylperhydro-2-9-Pyridoxazine, C15H20N2O3,

Corporate Author : NATIONAL RESEARCH COUNCIL OF CANADA OTTAWA (ONTARIO) BIOCHEMISTRY LAB

Personal Author(s) : Huber,Carol Saunderson

Report Date : 21 DEC 1970

Pagination or Media Count : 8

Abstract : The crystal structure of 1-p-nitrophenyl-3-methylperhydro-2,9-pyridoxazine, C15H20N2O3, has been determined mainly by direct methods using diffractometer data. Block-diagonal least-squares refinement led to a final R value of 0.038 for 1654 observed reflexions. The crystals are monoclinic. The methyl and p-nitrophenyl groups are equatorial, and the trans-fused heterocyclic rings are in flattened chair conformation. The absolute configuration was determined from the anomalous scattering of the oxygen atoms. The structure analysis has shown that the title compound is derived from (--)-allosedridine, rather than from (--)-sedridine as initially believed. (Author)

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

Subject Categories : Atomic and Molecular Physics and Spectroscopy

Distribution Statement : APPROVED FOR PUBLIC RELEASE