N-(4-{4-[2-(Trifluoromethoxy)phenyl]piperazin-1-yl}butyl)thiophene-2-carboxamide dihydrate
2011
Crystal Structure of a Dopamine D3 Ligand
publication
Evidence: moderate
Author Information
Author(s): Cai Jin
Primary Institution: Southeast University, Nanjing, People’s Republic of China
Hypothesis
The study aims to report the crystal structure of a newly synthesized dopamine D3 ligand.
Conclusion
The crystal structure of the compound reveals important details about its molecular conformation and hydrogen bonding.
Supporting Evidence
- The piperazine ring adopts a chair conformation.
- Molecules are linked by intermolecular hydrogen bonds.
- The fluorine atoms of the trifluoromethyl group are disordered over two sites.
Takeaway
Scientists made a new compound that might help treat brain disorders, and they looked at its structure to understand how it works.
Methodology
The compound was synthesized through a two-component reaction and its structure was analyzed using X-ray diffraction.
Limitations
The data to parameters ratio was rather poor due to the merging of Friedel pairs.
Digital Object Identifier (DOI)
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