6-(1-Adamantyl)-3-(2-chlorophenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole
2011
Structure of a New Compound with Adamantane and Chlorophenyl Groups
publication
Evidence: moderate
Author Information
Author(s): Tahir M. Nawaz, Khan Mahmood-ul-Hassan, Hammed Shahid, Bokhari Tanveer Hussain, Hina Saira
Primary Institution: Department of Physics, University of Sargodha, Sargodha, Pakistan
Conclusion
The study presents the crystal structure of a new compound featuring adamantane and chlorophenyl groups, revealing significant rotational disorder and π–π stacking interactions.
Supporting Evidence
- The compound exhibits a dihedral angle of 55.76° between its chlorophenyl and triazole groups.
- The adamantane group shows extensive rotational disorder modeled in four orientations.
- π–π stacking interactions were observed with centroid–centroid distances of 3.9526 Å.
Takeaway
Scientists studied a new chemical compound and found that its structure has some parts that can rotate freely, which helps it fit together with other molecules.
Methodology
The compound was synthesized from a mixture of specific chemical precursors and analyzed using X-ray crystallography.
Digital Object Identifier (DOI)
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