1,3,5-Tris(6-chloro-pyrazin-2-yl-oxy)benzene
1School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, People's Republic of China.
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study details the crystal structure of a novel compound, C(18)H(9)Cl(3)N(6)O(3). Analysis reveals normal bond lengths and angles, with specific dihedral angles and crystal packing stabilized by van der Waals forces and pi-pi stacking.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the three-dimensional arrangement of atoms in novel organic compounds is crucial for predicting their properties and potential applications.
- The specific arrangement of aromatic and heterocyclic rings influences molecular interactions and bulk material characteristics.
Purpose of the Study:
- To elucidate the crystal structure of the compound C(18)H(9)Cl(3)N(6)O(3).
- To analyze bond lengths, bond angles, dihedral angles, and intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond parameters and dihedral angles was performed.
Main Results:
- The compound C(18)H(9)Cl(3)N(6)O(3) exhibits normal bond lengths and angles.
- Significant dihedral angles were observed between the central benzene ring and the three pyrazine rings (72.67(2)°, 60.73(3)°, and 77.74(2)°).
- Crystal packing is primarily stabilized by van der Waals forces and weak pi-pi stacking interactions between pyrazine rings (centroid-centroid distance of 3.487(2) Å).
Conclusions:
- The determined crystal structure provides fundamental insights into the molecular geometry of C(18)H(9)Cl(3)N(6)O(3).
- The observed intermolecular interactions suggest potential for specific solid-state properties and supramolecular assembly.
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