Crystal structure of 1,5-dibromonaphthalene and of disordered 1,8-dibromonaphthalene

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) A, 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 6σ(∥F0∥) converged withR=0.039 andRw=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) A,β=107.83(4)°; disordered;R=0.11) are included as an appendix.