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Cercosporin-Photocatalyzed [4+1]- and [4+2]-Annulations of Azoalkenes Under Mild Conditions
Published on: July 17, 2020
5-Chloro-2-phenyl-1,3-benzothia-zole
Sammer Yousuf1, Shazia Shah, Nida Ambreen
1H. E. J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan.
This study details the crystal structure of C(13)H(8)ClNS, revealing a slight dihedral angle between its benzothiazole and phenyl rings. The molecules exhibit a parallel arrangement along the c axis in their crystalline form.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Benzothiazole derivatives are important scaffolds in medicinal chemistry and materials science.
- Understanding the solid-state structure of organic compounds is crucial for predicting their properties.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(13)H(8)ClNS.
- To analyze the molecular arrangement and intermolecular interactions in the solid state.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the crystal structure.
- The dihedral angle between the benzothiazole and phenyl rings was measured.
Main Results:
- The crystal structure of C(13)H(8)ClNS was successfully determined.
- A dihedral angle of 7.11(8)° was observed between the benzothiazole and phenyl ring systems.
- Molecules were found to be arranged parallel to the c axis within the crystal lattice.
Conclusions:
- The crystal packing and specific dihedral angle provide insights into the solid-state behavior of this benzothiazole derivative.
- The structural data can inform the design of related compounds with tailored electronic or material properties.
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