, Volume 43, Issue 7, pp 390-393,
Open Access This content is freely available online to anyone, anywhere at any time.
Date: 21 Jun 2013

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 P21/n with unit cell parameters: a = 8.9799(4), b = 11.3368(8), c = 12.4233(9) Å, β = 94.938(4)°, V = 1260.04(14) Å3, 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···Br and C–H···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.

Graphical 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 P21/n with unit cell parameters: a = 8.9799(4), b = 11.3368(8), c = 12.4233(9) Å, β = 94.938(4)°, V = 1260.04(14) Å3, 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···Br and C–H···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.