2,2'-(ethane-1,2-diyl)bis[2-(5-bromothiophen-2-yl)-1,3-dioxolane] at 100 K refined using a multipolar atom model

Acta Crystallogr C. 2011 Aug;67(Pt 8):o329-33. doi: 10.1107/S0108270111027247. Epub 2011 Jul 28.

Abstract

The title compound, C(16)H(16)Br(2)O(4)S(2), which is a precursor for the synthesis of oligothiophenes and their substituted homologues, was synthesized and its X-ray crystal structure determined at 100 K. The experimental electron-density parameters for the available atom types were transferred from the ELMAM2 database. The compound lies about an inversion centre, which coincides with the mid-point of a C-C bond. The molecules in the crystal are linked by several types of weak interactions; the largest contact surfaces are for H...H and H...Br.