Synthesis, Crystal and Molecular Structure of 2',3',3'-Tribromo-2',3'-dihydrospiro[1,3-dioxolane-2,1'-indene]

Abstract

The crystal structure of 2',3',3'-tribromo-2',3'-dihydrospiro[1,3-dioxolane-2,1'-indene], (C11H9Br3O2 ), has been determined by means of single-crystal X-ray diffraction methods. The title compound crystallizes in the monoclinic space group P2(1)/n with unit cell parameters: a = 8.9799(4), b = 11.3368(8), c = 12.4233(9) , beta = 94.938(4)A degrees, V = 1260.04(14) (3), Z = 4. The cyclopentane ring fused to the benzene ring adopts an envelope conformation with C11 at the tip of the envelope. The crystal structure is stabilized by C-H center dot center dot center dot Br and C-H center dot center dot center dot O interactions. The C atoms of the CH (2) groups of the 1,3-dioxolane ring, are disordered over two sites with an occupancy ratio of 0.62(7):0.38(7). A semiempirical quantum-mechanical calculation was carried out using the CNDO approximation. The crystal structure of 2',3',3'-tribromo-2',3'-dihydrospiro[1,3-dioxolane-2,1'-indene], (C11H9Br3O2 ), has been determined by means of single-crystal X-ray diffraction methods. The title compound crystallizes in the monoclinic space group P21/n with unit cell parameters: a = 8.9799(4), b = 11.3368(8), c = 12.4233(9) , beta = 94.938(4)A degrees, V = 1260.04(14) (3), Z = 4. The cyclopentane ring fused to the benzene ring adopts an envelope conformation with C11 at the tip of the envelope. The crystal structure is stabilized by C-H center dot center dot center dot Br and C-H center dot center dot center dot O interactions. The C atoms of the CH (2) groups of the 1,3-dioxolane ring, are disordered over two sites with an occupancy ratio of 0.62(7):0.38(7). A semiempirical quantum-mechanical calculation was carried out using the CNDO approximation.