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Updated: Jun 1, 2026
![Cercosporin-Photocatalyzed [4+1]- and [4+2]-Annulations of Azoalkenes Under Mild Conditions](/_next/image?url=https%3A%2F%2Fcloudfront.jove.com%2FCDNSource%2Fteasers%2F60786.jpg&w=3840&q=50)
Cercosporin-Photocatalyzed [4+1]- and [4+2]-Annulations of Azoalkenes Under Mild Conditions
Published on: July 17, 2020
3-Anilinothio-carbonyl-4-hydroxy-chromen-2-one
This study details the crystal structure of a novel organic compound, C(16)H(11)NO(3)S. Its aromatic rings exhibit a significant twist, with intermolecular interactions stabilizing the crystal lattice.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- The specific compound, C(16)H(11)NO(3)S, has not been previously characterized structurally.
Purpose of the Study:
- To determine the precise geometrical parameters and crystal structure of the title compound, C(16)H(11)NO(3)S.
- To investigate the intermolecular interactions that stabilize the crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to collect diffraction data.
- The crystal structure was solved and refined using standard crystallographic software.
Main Results:
- The geometrical parameters of C(16)H(11)NO(3)S are within expected ranges for similar organic molecules.
- A significant dihedral angle of 66.63(6)° was observed between the two aromatic residues, indicating they are not coplanar.
- The crystal structure is stabilized by hydrogen bonding, specifically N-H⋯O and O-H⋯S interactions.
Conclusions:
- The non-planar arrangement of aromatic systems in C(16)H(11)NO(3)S influences its molecular conformation.
- The identified hydrogen bonding interactions play a key role in the overall crystal stability and packing.
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