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2,2,2-Trifluoro-1-[3-(2,2,2-trifluoro-acet-yl)azulen-1-yl]ethanone.

ABSTRACT: There are two mol-ecules in the asymmetric unit of the title compound, C(14)H(6)F(6)O(2), in which the azulene systems possess an almost planar geometry with maximum deviations of 0.0438?(15) and 0.0396?(14)?Å. Besides intra- and inter-molecular C-H?O and C-H?F inter-actions, the structure displays three F?F contacts [2.793?(2), 2.8820?(17) and 2.9181?(16)?Å]. Furthermore, a characteristic azulene ?-stacking is observed with an alternating sequence of electron-rich five-membered rings and electron-deficient seven-membered rings [centroid-centroid distances = 3.5413?(12), 3.6847?(12), 3.5790?(12) and 3.7718?(12)?Å].

SUBMITTER: Forster S 

PROVIDER: S-EPMC3120490 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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2,2,2-Trifluoro-1-[3-(2,2,2-trifluoro-acet-yl)azulen-1-yl]ethanone.

Förster Sebastian S   Eissmann Frank F   Seichter Wilhelm W   Weber Edwin E  

Acta crystallographica. Section E, Structure reports online 20110514 Pt 6

There are two mol-ecules in the asymmetric unit of the title compound, C(14)H(6)F(6)O(2), in which the azulene systems possess an almost planar geometry with maximum deviations of 0.0438 (15) and 0.0396 (14) Å. Besides intra- and inter-molecular C-H⋯O and C-H⋯F inter-actions, the structure displays three F⋯F contacts [2.793 (2), 2.8820 (17) and 2.9181 (16) Å]. Furthermore, a characteristic azulene π-stacking is observed with an alternating sequence of electron-rich five-membered rings and electr  ...[more]

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