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
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author Cai, Jin
author_facet Cai, Jin
author_sort Cai, Jin
collection PubMed
description 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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spelling pubmed-30503312011-04-26 N-(4-{4-[2-(Trifluoro­meth­oxy)phen­yl]piperazin-1-yl}but­yl)thio­phene-2-carboxamide dihydrate Cai, Jin Acta Crystallogr Sect E Struct Rep Online Organic Papers 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). International Union of Crystallography 2010-12-15 /pmc/articles/PMC3050331/ /pubmed/21522636 http://dx.doi.org/10.1107/S160053681005155X Text en © Jin Cai 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Cai, Jin
N-(4-{4-[2-(Trifluoro­meth­oxy)phen­yl]piperazin-1-yl}but­yl)thio­phene-2-carboxamide dihydrate
title N-(4-{4-[2-(Trifluoro­meth­oxy)phen­yl]piperazin-1-yl}but­yl)thio­phene-2-carboxamide dihydrate
title_full N-(4-{4-[2-(Trifluoro­meth­oxy)phen­yl]piperazin-1-yl}but­yl)thio­phene-2-carboxamide dihydrate
title_fullStr N-(4-{4-[2-(Trifluoro­meth­oxy)phen­yl]piperazin-1-yl}but­yl)thio­phene-2-carboxamide dihydrate
title_full_unstemmed N-(4-{4-[2-(Trifluoro­meth­oxy)phen­yl]piperazin-1-yl}but­yl)thio­phene-2-carboxamide dihydrate
title_short N-(4-{4-[2-(Trifluoro­meth­oxy)phen­yl]piperazin-1-yl}but­yl)thio­phene-2-carboxamide dihydrate
title_sort n-(4-{4-[2-(trifluoro­meth­oxy)phen­yl]piperazin-1-yl}but­yl)thio­phene-2-carboxamide dihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050331/
https://www.ncbi.nlm.nih.gov/pubmed/21522636
http://dx.doi.org/10.1107/S160053681005155X
work_keys_str_mv AT caijin n442trifluoromethoxyphenylpiperazin1ylbutylthiophene2carboxamidedihydrate

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