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1-[(2,3,4,5,6-Penta-fluoro-phen-yl)ethyn-yl]ferrocene.

ABSTRACT: The mol-ecular structure of the title compound, [Fe(C(5)H(5))(C(13)H(4)F(5))], consists of a ferrocenyl group and a 2,3,4,5,6-penta-fluoro-benzene group linked through an ethyne spacer. The crystal packing is dominated by inter-molecular C-H?F hydrogen bonds, C-F?? inter-actions between the penta-fluoro-benzene groups [F?centroid distances = 3.882?(2) and 3.884?(2)?Å] and ?-? inter-actions between the penta-fluoro-benzene and cyclo-penta-dienyl rings [centroid-centroid distance = 3.741?(1)?Å].

SUBMITTER: Zhang C

PROVIDER: S-EPMC3007523 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

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1-[(2,3,4,5,6-Penta-fluoro-phen-yl)ethyn-yl]ferrocene.

Zhang Chan C Zhang Honglin H Dai Dongdong D Liang Jinhua J

Acta crystallographica. Section E, Structure reports online 20100710 Pt 8

The mol-ecular structure of the title compound, [Fe(C(5)H(5))(C(13)H(4)F(5))], consists of a ferrocenyl group and a 2,3,4,5,6-penta-fluoro-benzene group linked through an ethyne spacer. The crystal packing is dominated by inter-molecular C-H⋯F hydrogen bonds, C-F⋯π inter-actions between the penta-fluoro-benzene groups [F⋯centroid distances = 3.882 (2) and 3.884 (2) Å] and π-π inter-actions between the penta-fluoro-benzene and cyclo-penta-dienyl rings [centroid-centroid distance = 3.741 (1) Å]. ...[more]

PMID: 21588152

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