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Cercosporin-Photocatalyzed [4+1]- and [4+2]-Annulations of Azoalkenes Under Mild Conditions
Published on: July 17, 2020
3-(3,4-Dichloro-benzyl-idene)chroman-4-one
Kaalin Gopaul1, Neil Anthony Koorbanally, Mahidansha M Shaikh
1School of Chemistry and Physics, University of KwaZulu-Natal, Private Bag X54001, Durban 4000, South Africa.
This study reveals a unique zigzag chain structure in a dichlorinated chromanone compound, formed by chlorine-chlorine interactions. The molecule
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding molecular interactions is crucial for designing novel materials.
- Chromanone derivatives exhibit diverse biological and chemical properties.
Purpose of the Study:
- To elucidate the crystal structure and intermolecular interactions of a novel dichlorinated chromanone compound.
- To investigate the conformational preferences and packing arrangements of the molecule in the solid state.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
- Analysis of intermolecular contacts, including halogen bonding, was performed.
Main Results:
- The crystal structure features a zigzag chain along the [100] direction driven by Cl⋯Cl interactions (3.591(1) and 3.631(1) Å).
- The chromanone moiety exhibits a half-chair conformation, with a dihedral angle of 56.14(8)° between the chromanone's benzene ring and the dichlorobenzene plane.
Conclusions:
- The study highlights the significant role of halogen bonding in dictating the supramolecular architecture of the compound.
- The findings provide insights into the structure-property relationships of dichlorinated chromanone derivatives.
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