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Related Experiment Videos

Erythro-1-(benzothiazol-2-yl)-1,2-dibromo-2-(2-chloro-5-nitrophenyl)ethane

R Alarcón1, O Cox, L A Rivera

  • 1Department of Chemistry, University of Puerto Rico, San Juan 00931.

Acta Crystallographica. Section C, Crystal Structure Communications
|March 5, 1998
PubMed
Summary
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Researchers synthesized a novel C15H9Br2ClN2O2S compound using bromine addition. This study details the molecular structure, including bond distances and dihedral angles between its benzothiazole and phenyl rings.

Area of Science:

  • Organic Chemistry
  • Crystallography

Background:

  • Benzothiazole derivatives are known for diverse biological activities.
  • Nitrophenyl and halogenated compounds are key structural motifs in medicinal chemistry.

Purpose of the Study:

  • To synthesize and characterize a novel dibrominated benzothiazole derivative.
  • To elucidate the molecular structure and conformation of the synthesized compound.

Main Methods:

  • Electrophilic addition of bromine to 2-(2-chloro-5-nitrostyryl)benzothiazole.
  • Single-crystal X-ray diffraction analysis to determine molecular structure.

Main Results:

  • Successful synthesis of the target compound C15H9Br2ClN2O2S.
  • The molecule features benzothiazole and 2-chloro-5-nitrophenyl rings linked by a 1,2-dibromoethane bridge.

Related Experiment Videos

  • Determined dihedral angle between aromatic rings (8.2(9) degrees) and planarity of the benzothiazole ring.

    • Conclusions:

    • The study provides a detailed structural characterization of a new halogenated benzothiazole derivative.
    • The findings contribute to the understanding of structure-property relationships in this class of compounds.