Related Experiment Videos
3-Methyl-sulfanyl-5-phenyl-1,2,4-triazine.
Salha Hamri1, Abderrafia Hafid1, Mostafa Khouili1
1Laboratoire de Chimie Organique et Analytique, Université Sultan Moulay Slimane, Faculté des Sciences et Techniques, BP 523, 23000 Béni-Mellal, Morocco.
Summary
The study reveals a slight twist between the triazine and phenyl rings in C10H9N3S. Molecules self-assemble via pi-pi stacking, forming layered crystal structures.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding molecular arrangements is crucial for predicting material properties.
- Intermolecular interactions, such as pi-pi stacking, dictate crystal packing and macroscopic behavior.
Purpose of the Study:
- To elucidate the crystal structure and intermolecular interactions of the title compound, C10H9N3S.
- To characterize the dihedral angle between the aromatic rings and the nature of crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of intermolecular distances and angles was performed to identify key interactions.
Main Results:
- The dihedral angle between the triazine and phenyl rings was determined to be 11.77(7)°.
- Molecules are interconnected through pi-pi stacking interactions with centroid-centroid distances of 3.7359(3) Å and 3.7944(4) Å.
- These interactions lead to the formation of layers parallel to the bc plane in the crystal lattice.
Conclusions:
- The crystal structure of C10H9N3S is characterized by a specific dihedral angle and significant pi-pi stacking.
- The observed layered structure, driven by pi-pi interactions, provides insights into the solid-state behavior of this compound.