Issue 11, 1972

A study of the conformation of syn-3,7-dibromo-cis,cis-cyclo-octa-1,5-diene in the crystal and in solution by X-ray crystallography and nuclear magnetic resonance

Abstract

An X-ray structure analysis shows crystals of the title compound (II) to possess a twist-boat conformation; 1H n.m.r., dipole moment and i.r. measurements reveal the presence of this form as the major conformer in solution. A dihedral angle interrelation table facilitates the study of this potentially mobile system.

Crystals are orthorhombic, space group Fdd2, Z= 8, a= 19·64, b= 19·36, and c= 4·78 Å. The structure was solved from photographic data by the heavy-atom method and refined by least-squares to R 0·112 for 470 independent reflections.

Article information

Article type
Paper

J. Chem. Soc., Perkin Trans. 2, 1972, 1632-1638

A study of the conformation of syn-3,7-dibromo-cis,cis-cyclo-octa-1,5-diene in the crystal and in solution by X-ray crystallography and nuclear magnetic resonance

R. K. Mackenzie, D. D. MacNicol, H. H. Mills, R. A. Raphael, F. B. Wilson and J. A. Zabkiewicz, J. Chem. Soc., Perkin Trans. 2, 1972, 1632 DOI: 10.1039/P29720001632

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