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Related Experiment Videos

Bis[1-hydroxypyridine-2(1H)-thionato-S,O]copper(II).

A D Bond1, N Feeder, S J Teat

  • 1Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, England. adb29@cam.ac.uk

Acta Crystallographica. Section C, Crystal Structure Communications
|October 16, 2001
PubMed
Summary

The crystal structure of the fungicidal compound copper bis(5-nitroso-2-thiophenolate) was determined using synchrotron radiation. This widely used material adopts a trans-square-planar configuration in its solid state.

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Area of Science:

  • Crystallography
  • Materials Science
  • Fungicide Development

Background:

  • Copper complexes are widely utilized as fungicides in agriculture and industry.
  • Understanding the precise molecular structure of these compounds is crucial for optimizing their efficacy and safety.
  • The specific compound [Cu(C(5)H(4)NOS)(2)] is a significant fungicidal agent whose detailed structural properties warrant investigation.

Purpose of the Study:

  • To determine the precise three-dimensional crystal structure of the fungicidal material [Cu(C(5)H(4)NOS)(2)].
  • To elucidate the coordination geometry and bonding characteristics around the central copper atom.
  • To provide a foundational structural understanding for the development of improved fungicidal agents.

Main Methods:

  • Single-crystal X-ray diffraction was performed on a microcrystalline fragment of [Cu(C(5)H(4)NOS)(2)].

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  • Synchrotron radiation was employed as the X-ray source to obtain high-resolution diffraction data.
  • The crystal structure was solved and refined at a low temperature of 150(2) K.

    • Main Results:

    • The crystal structure of [Cu(C(5)H(4)NOS)(2)] was successfully determined.
    • The molecule was found to adopt a trans-square-planar configuration around the central copper atom.
    • The copper atom is located at a crystallographic centre of inversion, indicating specific molecular symmetry.

    Conclusions:

    • The determined crystal structure provides definitive insights into the solid-state arrangement of the fungicidal compound.
    • The trans-square-planar geometry and inversion symmetry are key structural features of this widely used fungicide.
    • This structural information can guide future research in designing more effective and targeted copper-based fungicidal materials.