Accession Number : AD0686206

Title :   THE CRYSTAL STRUCTURE OF 8,16-OXIDO-cis(2.2)METACYCLOPHANE,

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

Personal Author(s) : Mathew,M. ; Hanson,A. W.

Report Date : 27 NOV 1967

Pagination or Media Count : 6

Abstract : The crystal structure of 8,16-oxido-cis(2.2)metacyclophane, C16H14O, is orthorbombic, space group probably Cmc21, with a=8.78, b=16.04, c=8.42 A, Z=4. The structure was deduced from the three-dimensional Patterson synthesis and refined by block-diagonal least squares to a final agreement residual of 0.057. The molecule has nearly mm symmetry, and is folded to a dihedral form so that the angle between the slightly boat-shaped six-membered rings is 99.6 deg. The bond angle subtended by the oxygen atom is 101.4 deg, while the mean value of those in the methylene bridges is 119.0 deg. The strain implied by these values is consistent with the tendency of the compound to transform into the corresponding pyrene derivative, with ejection of the hetero atom. (Author)

Descriptors :   (*OXYGEN HETEROCYCLIC COMPOUNDS, *CRYSTAL STRUCTURE), (*POLYCYCLIC COMPOUNDS, CRYSTAL STRUCTURE), GEOMETRY, CHEMICAL BONDS, SYMMETRY(CRYSTALLOGRAPHY), X RAY DIFFRACTION, CANADA

Subject Categories : Organic Chemistry
      Crystallography

Distribution Statement : APPROVED FOR PUBLIC RELEASE