Abstract
The crystal structure of 1,5-dibromonaphthalene, C10H6Br2, has been determined from a single crystal x-ray study. The compound crystallizes in the monoclinic space groupC2/c with four molecules per unit cella=14.576(5),b=4.049(1),c=15.046(6) Å, andβ=92.18(3)°. The structure was solved by the execution of the programDirdif in space groupP1. Full-matrix least-squares refinement (inC2/c) using 544 reflections with sinθ/λ<0.594 and ∥F 0∥>6σ(∥F 0∥) converged withR=0.039 andR w =0.050. The results of an X-ray study of 1,8-dibromonaphthalene (P21/c, a=8.050(4),b=10.898(5),c=11.083(5) Å,β=107.83(4)°; disordered;R=0.11) are included as an appendix.
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Haltiwanger, R.C., Beurskens, P.T., Vankan, J.M.J. et al. Crystal structure of 1,5-dibromonaphthalene and of disordered 1,8-dibromonaphthalene. Journal of Crystallographic and Spectroscopic Research 14, 589–597 (1984). https://doi.org/10.1007/BF01182146
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DOI: https://doi.org/10.1007/BF01182146