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Cercosporin-Photocatalyzed [4+1]- and [4+2]-Annulations of Azoalkenes Under Mild Conditions
Published on: July 17, 2020
4-Chloro-1H-pyrrolo-[2,3-d]pyrimidine
1College of Life Science and Chemical Engineering, Huaiyin Institute of Technology, Huaiyin 223003, Jiangsu, People's Republic of China.
Acta Crystallographica. Section E, Structure Reports Online
|September 13, 2012
Summary
This study reveals the crystal structure of a chlorinated nitrogen compound, C(6)H(4)ClN(3). Molecules form dimers through hydrogen bonds and arrange into a 2D network via C-H interactions.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the solid-state structure of heterocyclic compounds is crucial for predicting their properties.
- Chlorinated nitrogen heterocycles are important building blocks in medicinal chemistry and materials science.
Purpose of the Study:
- To determine the crystal structure of the title compound, C(6)H(4)ClN(3).
- To investigate the intermolecular interactions governing its solid-state packing.
Main Methods:
- Single-crystal X-ray diffraction was used to analyze the crystal structure.
- Analysis of hydrogen bonding (N-H⋯N) and C-H⋯N interactions was performed.
Main Results:
- The compound C(6)H(4)ClN(3) exhibits a nearly planar structure with pyrrole and pyrimidine rings at a dihedral angle of 0.79°.
- Molecules form inversion dimers mediated by N-H⋯N hydrogen bonds.
- These dimers are further connected by C-H⋯N interactions, leading to a two-dimensional network structure parallel to the (10-1) plane.
Conclusions:
- The crystal packing of C(6)H(4)ClN(3) is dictated by a combination of hydrogen bonding and C-H⋯N interactions.
- The observed 2D network structure provides insights into the self-assembly behavior of this class of compounds.
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