N-(4-{4-[2-(Trifluoro­meth­oxy)phen­yl]piperazin-1-yl}but­yl)thio­phene-2-carboxamide dihydrate

In the title compound, C(20)H(24)F(3)N(3)O(2)S·2H(2)O, a dopamine D3 ligand, the piperazine ring adopts a chair conformation while the piperazine and benzene rings form a dihedral angle of 47.71 (6)°. In the crystal, mol­ecules are linked by inter­molecular N—H⋯O and O—H⋯O hydrogen bonds. In the mol...

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Detalles Bibliográficos
Autor principal: Cai, Jin
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050331/
https://www.ncbi.nlm.nih.gov/pubmed/21522636
http://dx.doi.org/10.1107/S160053681005155X
Descripción
Sumario:In the title compound, C(20)H(24)F(3)N(3)O(2)S·2H(2)O, a dopamine D3 ligand, the piperazine ring adopts a chair conformation while the piperazine and benzene rings form a dihedral angle of 47.71 (6)°. In the crystal, mol­ecules are linked by inter­molecular N—H⋯O and O—H⋯O hydrogen bonds. In the mol­ecular structure, the F atoms of the trifluoro­methyl group are disordered over two sites with occupancies of 0.69 (11) and 0.31 (11).

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