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Updated: Jun 1, 2026

Synthesis of pH Dependent Pyrazole, Imidazole, and Isoindolone Dipyrrinone Fluorophores using a Claisen-Schmidt Condensation Approach
Published on: June 10, 2021
5,6-Diphenyl-pyrazine-2,3-dicarbonitrile
The crystal structure of C(18)H(10)N(4) reveals specific dihedral angles between its pyrazine and phenyl rings. Weak pi-pi interactions likely contribute to stabilizing this molecular arrangement.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties.
- The study of intermolecular forces, such as pi-pi interactions, helps explain crystal packing and stability.
Purpose of the Study:
- To determine the precise molecular geometry and crystal structure of the title compound, C(18)H(10)N(4).
- To investigate the nature and significance of intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to analyze the crystal structure.
- Geometric parameters, including dihedral angles and interatomic distances, were precisely measured.
Main Results:
- The pyrazine ring exhibits dihedral angles of approximately 48.08° and 44.80° relative to the two phenyl rings.
- A dihedral angle of approximately 49.47° was observed between the two phenyl rings.
- Weak pi-pi contacts with a centroid-centroid distance of 3.813 Å were identified between pyrazine and phenyl rings.
Conclusions:
- The non-planar conformation of the molecule is defined by specific dihedral angles between the aromatic rings.
- These weak pi-pi interactions are suggested to play a role in stabilizing the overall crystal structure.
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