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Crystal structure of (Z)-1-(ferrocenylethyn-yl)-10-(phenyl-imino)-anthracen-9(10H)-one from synchrotron X-ray powder diffraction.

Nishibori E, Aoyagi S, Sakata M, Sakamoto R, Nishihara H - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: In the title compound, [Fe(C5H5)(C27H16NO)], designed and synthesized to explore a new electron-donor (D) and -acceptor (A) conjugated complex, the two cyclo-penta-dienyl rings adopt an eclipsed conformation.The anthracene tricycle is distorted towards a butterfly conformation and the mean planes of the outer benzene rings are inclined each to other at 22.7 (3)°.Weak inter-molecular C-H⋯π inter-actions link further these dimers into one-dimensional columns along the b axis, with the ferrocenylethynyl arms arranged between the stacks to fill the voids.

View Article: PubMed Central - HTML - PubMed

Affiliation: Division of Physics, Faculty of Pure and Applied Sciences, Center for Integrated Research in Fundamental Science and Engineering, Tsukuba Research Center for Interdisciplinary Materials Science, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8571, Japan.

ABSTRACT
In the title compound, [Fe(C5H5)(C27H16NO)], designed and synthesized to explore a new electron-donor (D) and -acceptor (A) conjugated complex, the two cyclo-penta-dienyl rings adopt an eclipsed conformation. The anthracene tricycle is distorted towards a butterfly conformation and the mean planes of the outer benzene rings are inclined each to other at 22.7 (3)°. In the crystal, mol-ecules are paired into inversion dimers via π-π inter-actions. Weak inter-molecular C-H⋯π inter-actions link further these dimers into one-dimensional columns along the b axis, with the ferrocenylethynyl arms arranged between the stacks to fill the voids.

No MeSH data available.


Related in: MedlinePlus

The mol­ecular structure of 1-FcAqPHI, showing the atomic numbering and 50% probability displacement spheres.
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fig1: The mol­ecular structure of 1-FcAqPHI, showing the atomic numbering and 50% probability displacement spheres.

Mentions: Fig. 1 ▶ shows the mol­ecular structure of 1-(Fc)AqPHI, which contains two five-membered and four six-membered carbon rings. The two cyclo­penta­dienyl rings adopt an eclipsed conformation. The anthracene tricycle is distorted towards a butterfly conformation, and the mean planes of the outer benzene rings are inclined each to other at 22.7 (3)°.


Crystal structure of (Z)-1-(ferrocenylethyn-yl)-10-(phenyl-imino)-anthracen-9(10H)-one from synchrotron X-ray powder diffraction.

Nishibori E, Aoyagi S, Sakata M, Sakamoto R, Nishihara H - Acta Crystallogr Sect E Struct Rep Online (2014)

The mol­ecular structure of 1-FcAqPHI, showing the atomic numbering and 50% probability displacement spheres.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257377&req=5

fig1: The mol­ecular structure of 1-FcAqPHI, showing the atomic numbering and 50% probability displacement spheres.
Mentions: Fig. 1 ▶ shows the mol­ecular structure of 1-(Fc)AqPHI, which contains two five-membered and four six-membered carbon rings. The two cyclo­penta­dienyl rings adopt an eclipsed conformation. The anthracene tricycle is distorted towards a butterfly conformation, and the mean planes of the outer benzene rings are inclined each to other at 22.7 (3)°.

Bottom Line: In the title compound, [Fe(C5H5)(C27H16NO)], designed and synthesized to explore a new electron-donor (D) and -acceptor (A) conjugated complex, the two cyclo-penta-dienyl rings adopt an eclipsed conformation.The anthracene tricycle is distorted towards a butterfly conformation and the mean planes of the outer benzene rings are inclined each to other at 22.7 (3)°.Weak inter-molecular C-H⋯π inter-actions link further these dimers into one-dimensional columns along the b axis, with the ferrocenylethynyl arms arranged between the stacks to fill the voids.

View Article: PubMed Central - HTML - PubMed

Affiliation: Division of Physics, Faculty of Pure and Applied Sciences, Center for Integrated Research in Fundamental Science and Engineering, Tsukuba Research Center for Interdisciplinary Materials Science, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8571, Japan.

ABSTRACT
In the title compound, [Fe(C5H5)(C27H16NO)], designed and synthesized to explore a new electron-donor (D) and -acceptor (A) conjugated complex, the two cyclo-penta-dienyl rings adopt an eclipsed conformation. The anthracene tricycle is distorted towards a butterfly conformation and the mean planes of the outer benzene rings are inclined each to other at 22.7 (3)°. In the crystal, mol-ecules are paired into inversion dimers via π-π inter-actions. Weak inter-molecular C-H⋯π inter-actions link further these dimers into one-dimensional columns along the b axis, with the ferrocenylethynyl arms arranged between the stacks to fill the voids.

No MeSH data available.


Related in: MedlinePlus