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2,2'-(ethane-1,2-diyl)bis[2-(5-bromothiophen-2-yl)-1,3-dioxolane] at 100 K refined using a multipolar atom model
Maqsood Ahmed1, Sajida Noureen, Philippe C Gros
1CNRS UMR 7036 (CRM2), Laboratoire de Cristallographie, Résonance Magnétique et Modélisations, Faculté des Sciences et Techniques-UHP, Vandoeuvre-lès-Nancy, France.
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.
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