Crystal and molecular structures of 1, 4-dibromo-and 1, 4-diiodocubane

NT Kawai, DFR Gilson, JF Britten…

Index: Kawai, N. T.; Gilson, D. F. R.; Britten, J. F.; Butler, I. S.; Farrell, P. G. Canadian Journal of Chemistry, 1992 , vol. 70, # 3 p. 910 - 914

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Citation Number: 3

Abstract

The crystal structure of 1, 4-dibromocubane has been determined by X-ray diffraction. The crystal is monoclinic, P 21/n, a= 6.878 (1), b= 6.960 (7), c= 8.793 (2) Å, β= 113.08 (2)°, Z= 2, R= 0.055. The C-Br bond length, at 1.926 Å, is shorter than usual and the carbon framework is probably distorted by longer bonds along the edges. The direct dipole coupling constants between protons, obtained from the partially oriented NMR spectrum, show that a ...