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Related Experiment Videos

A highly functionalized ferrocenylpyrazolo[2,3-a]pyridine.

S Sarkhel1, P Srivastava, V J Ram

  • 1Division of Membrane Biology, Central Drug Research Institute, Lucknow 226 001, India.

Acta Crystallographica. Section C, Crystal Structure Communications
|July 21, 2004
PubMed
Summary
This summary is machine-generated.

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The crystal structure of a novel ferrocenyl compound reveals a twisted arrangement between its pyrazolopyridine core and phenyl/cyclopentadiene rings. This unique molecular geometry impacts its electronic properties.

Area of Science:

  • Organometallic Chemistry
  • Crystallography
  • Materials Science

Background:

  • Ferrocene derivatives are crucial in materials science due to their unique electronic and structural properties.
  • Pyrazolopyridine scaffolds offer versatile platforms for developing novel functional molecules.
  • Understanding the solid-state structure is key to predicting and tuning molecular behavior.

Purpose of the Study:

  • To elucidate the crystal structure of a novel bromophenyl-cyano-ferrocenyl-pyrazolopyridine acetonitrile derivative.
  • To analyze the spatial arrangement and planarity of the distinct molecular components.
  • To provide a structural basis for potential applications in materials science.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.

Related Experiment Videos

  • The structure was solved and refined to high accuracy.
  • Interplanar angles and bond distances/angles were analyzed.

    • Main Results:

    • The crystal structure of [2-(4-bromophenyl)-4-cyano-5-ferrocenylpyrazolo[2,3-a]pyridin-7-yl]acetonitrile was determined.
    • The pyrazolopyridine, bromophenyl, and cyclopentadiene rings were found to be nearly planar.
    • A significant twist of approximately 20 degrees was observed between the pyrazolopyridine system and the bromophenyl/cyclopentadiene rings.

    Conclusions:

    • The determined crystal structure reveals a non-planar, twisted conformation of the molecule.
    • This specific three-dimensional arrangement is critical for understanding the compound's electronic and photophysical properties.
    • The findings provide insights for the rational design of new ferrocene-based functional materials.