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5-Chloro-2-(phenyl-diazen-yl)pyridine.
Acta Crystallographica. Section E, Structure Reports Online
|December 27, 2011
Summary
This study details the molecular structure of C(11)H(8)ClN(3), revealing a trans conformation of the azo group. The dihedral angle between its six-membered rings was precisely measured at 15.47 degrees.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Understanding the precise three-dimensional arrangement of atoms in organic molecules is crucial for predicting their chemical behavior and properties.
- Azo compounds are a significant class of organic molecules with diverse applications, including dyes and pharmaceuticals.
Purpose of the Study:
- To elucidate the specific molecular geometry and conformation of the title compound, C(11)H(8)ClN(3).
- To provide precise crystallographic data regarding the spatial arrangement of the azo group and the orientation of the aromatic rings.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed to determine the molecular structure.
- The conformation of the azo group and the dihedral angle between the phenyl rings were calculated from the crystallographic data.
Main Results:
- The crystal structure of C(11)H(8)ClN(3) was successfully determined.
- The azo group (-N=N-) within the molecule was found to adopt a trans conformation.
- A specific dihedral angle of 15.47(8)° was measured between the two six-membered rings.
Conclusions:
- The study provides definitive structural information for C(11)H(8)ClN(3), confirming a trans azo conformation.
- The determined dihedral angle offers insight into the steric interactions and planarity of the molecule, relevant for its chemical properties.
![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)
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