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Open AccessArticle10.1107/s160053681005155x

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

Jin Cai-2010-12-14-Acta Crystallographica Section E Structure Reports Online
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TL;DRAbstract

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).

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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).

Keywords

ThiopheneCarboxamideChemistryMedicinal chemistryStereochemistryOrganic chemistry

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