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N-(4-{4-[2-(Trifluoro-meth-oxy)phen-yl]piperazin-1-yl}but-yl)thio-phene-2-carboxamide dihydrate.

ABSTRACT: 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, mol-ecules are linked by inter-molecular N-H?O and O-H?O hydrogen bonds. In the mol-ecular structure, the F atoms of the trifluoro-methyl group are disordered over two sites with occupancies of 0.69?(11) and 0.31?(11).

SUBMITTER: Cai J

PROVIDER: S-EPMC3050331 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature

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N-(4-{4-[2-(Trifluoro-meth-oxy)phen-yl]piperazin-1-yl}but-yl)thio-phene-2-carboxamide dihydrate.

Cai Jin J

Acta crystallographica. Section E, Structure reports online 20101215 Pt 1

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, mol-ecules are linked by inter-molecular N-H⋯O and O-H⋯O hydrogen bonds. In the mol-ecular structure, the F atoms of the trifluoro-methyl group are disordered over two sites with occupancies of 0.69 (11) and 0.31 (11). ...[more]

PMID: 21522636

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