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4-(5-{2-[5-(4-Cyanophenyl)-3-methylthiophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopent-1-en-1-yl}-4-methylthiophen-2-yl)benzonitrile chloroform hemisolvate

El-Hiti, Gamal, Smith, Keith, Masmali, Ali, Balakit, Asim Alaa Abdalhussein and Kariuki, Benson 2013. 4-(5-{2-[5-(4-Cyanophenyl)-3-methylthiophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopent-1-en-1-yl}-4-methylthiophen-2-yl)benzonitrile chloroform hemisolvate. Acta Crystallographica Section E - Structure Reports Online 69 (7) , o1041. 10.1107/S1600536813014852

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The crystal structure of the title compound, C29H16F6N2S2·0.5CHCl3, consists of molecules with disordered perfluorocyclopentene rings [occupancy ratio 0.685 (3):0.315 (3)] and close F...F contacts (in the range 2.45-2.73 Å) between molecules. The short contacts are associated with the disorder. The dihedral angle between thiophene rings is 57.44 (8)°. The 5-(4-cyanophenyl)-3-methyl-2-thienyl groups of adjacent molecules are parallel, leading to zigzag chains of molecules along [101]. The dihedral angles between each thiophene ring and its adjacent cyanobenzene ring are 8.9 (2) and 7.15 (10)°.

Item Type: Article
Date Type: Publication
Status: Published
Schools: Chemistry
Subjects: Q Science > QD Chemistry
Publisher: International Union of Crystallography
ISSN: 1600-5368
Last Modified: 31 Jul 2020 01:38

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