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Fluazinam.

Youngeun Jeon1, Jineun Kim1, Sangjin Lee1

  • 1Department of Chemistry and Research Institute of Natural Sciences, Gyeongsang National University, Jinju 660-701, Republic of Korea.

Acta Crystallographica. Section E, Structure Reports Online
|January 16, 2014
PubMed
Summary
This summary is machine-generated.

The fungicide fluazinam has a specific molecular structure with a 42.20° dihedral angle between its pyridine and benzene rings. Crystal analysis reveals hydrogen bonds and various intermolecular interactions forming a 3D network.

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Area of Science:

  • Crystallography
  • Chemical Crystallography
  • Materials Science

Background:

  • Fluazinam is a widely used fungicide.
  • Understanding the crystal structure of active ingredients is crucial for formulation and efficacy.
  • The molecular structure of fluazinam involves substituted pyridine and aniline rings.

Purpose of the Study:

  • To determine the precise crystal structure of the fungicide fluazinam.
  • To investigate the intermolecular interactions governing the solid-state packing of fluazinam.
  • To elucidate the three-dimensional network formed by fluazinam molecules in the crystal lattice.

Main Methods:

  • Single-crystal X-ray diffraction analysis was employed.
  • The crystal structure was solved and refined.
  • Intermolecular interactions, including hydrogen bonds and π-π stacking, were analyzed.

Main Results:

  • The dihedral angle between the pyridine and benzene rings in fluazinam is 42.20(4)°.
  • N-H⋯F hydrogen bonds form inversion dimers.
  • C-Cl⋯π and N-O⋯π interactions link dimers into chains, further connected by short Cl⋯Cl, O⋯Cl, and F⋯F contacts to form a 3D network.

Conclusions:

  • The study provides a detailed crystallographic description of fluazinam.
  • The identified intermolecular interactions dictate the formation of a complex three-dimensional crystal network.
  • This structural information can inform future research on fluazinam's physical properties and behavior.