2,2′-(Ethane-1,2-diyl)bis[2-(5-bromothiophen-2-yl)-1,3-dioxolane] at 100 K refined using a multipolar atom model - Archive ouverte HAL
Article Dans Une Revue Acta Crystallographica Section C : Crystal Structure Communications [1968-2013] Année : 2011

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

Résumé

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 homo-logues, 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 HÁ Á ÁH and HÁ Á ÁBr. Comment In the recent past, oligothiophenes and their substituted homologues have attracted the attention of the scientific community as they are a promising class of organic semiconductor materials for applications in the production of organic field-effect transistors and as electronic devices (Roncali, 1992). These-conjugated materials have found important applications, for example in organic solar cells (Ma et al.,

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Cristallographie
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Dates et versions

hal-01713014 , version 1 (20-02-2018)

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Maqsood Ahmed, Sajida Noureen, Philippe C. Gros, Benoît Guillot, Christian Jelsch. 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 Crystallographica Section C : Crystal Structure Communications [1968-2013], 2011, 67 (8), pp.o329 - o333. ⟨10.1107/S0108270111027247⟩. ⟨hal-01713014⟩
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