4-Methyl-2,7-dioxo-3,6-dioxa-1(1,1′)-ferrocenacyclo­hepta­phane [Fe(C15H14O4)]
2011

Crystal Structure of 4-Methyl-2,7-dioxo-3,6-dioxa-1(1,1′)-ferrocenacyclo­hepta­phane

publication Evidence: high

Author Information

Author(s): Leng Xin, Yang Bingqin, Zhang Pengfei, Fang Xianwen

Primary Institution: Key Laboratory of Synthetic and Natural Chemistry of the Ministry of Education, College of Chemistry and Materials Science, Northwest University of Xi’an

Conclusion

The study successfully characterized the crystal structure of the title compound, revealing specific geometric parameters and orientations of the cyclopentadienyl rings.

Supporting Evidence

  • The two cyclopentadienyl rings in the compound are nearly parallel with a dihedral angle of 2.6°.
  • The distance between the centroids of the Cp rings is measured at 3.309 Å.
  • The torsion angle between the two centroids and the substituted C atoms is -43.99°.

Takeaway

The researchers looked at a special chemical compound and found out how its parts are arranged in 3D space.

Methodology

X-ray single-crystal diffraction was used to determine the structure.

Digital Object Identifier (DOI)

10.1107/S1600536811019398

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