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5-Bromo-N-phenyl-pyrazine-2,3-diamine
1School of Chemistry and Chemical Engineering, Taishan Medical University, Tai'an 271016, People's Republic of China.
Summary
The crystal structure of a novel bromo-substituted pyrazine compound reveals a significant dihedral angle between its benzene and pyrazine rings. This molecule forms a 3D network through intermolecular hydrogen bonds and pi-interactions.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the structure-property relationships of heterocyclic compounds is crucial for developing new materials.
- Bromo-substituted pyrazines are of interest due to their potential applications in various fields.
Purpose of the Study:
- To elucidate the crystal structure and intermolecular interactions of a novel C(10)H(9)BrN(4) compound.
- To investigate the factors influencing the molecular assembly in the solid state.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed to determine the molecular and crystal structure.
- Analysis of intermolecular interactions, including hydrogen bonding and pi-pi stacking, was performed.
Main Results:
- The crystal structure of C(10)H(9)BrN(4) was successfully determined.
- A notable dihedral angle of 61.34(5)° was observed between the benzene and pyrazine rings.
- Intermolecular N-H⋯N hydrogen bonds and N-H⋯π interactions were identified as key drivers for the 3D network formation.
Conclusions:
- The compound exhibits a unique three-dimensional supramolecular architecture driven by specific intermolecular forces.
- The structural insights gained can guide the design of related compounds with tailored properties.
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