7-[(3-Chloro-6-methyl-6,11-dihydro­dibenzo[c,f][1,2]thia­zepin-11-yl)amino]­hepta­noic acid S,S-dioxide hydro­chloride

In the title compound, C(21)H(26)ClN(2)O(4)S(.)Cl, also known as tianeptine hydro­chloride, the seven-membered ring adopts a boat conformation. The dihedral angle between the mean planes of the benzene rings is 44.44 (7)°. There is an intra­molecular hydrogen bond formed via S= O⋯H—N. In the crystal...

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Autores principales: Mishnev, Anatoly, Zvirgzdins, Alvis, Actins, Andris, Delina, Mara
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3515238/
https://www.ncbi.nlm.nih.gov/pubmed/23284458
http://dx.doi.org/10.1107/S1600536812042432
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author Mishnev, Anatoly
Zvirgzdins, Alvis
Actins, Andris
Delina, Mara
author_facet Mishnev, Anatoly
Zvirgzdins, Alvis
Actins, Andris
Delina, Mara
author_sort Mishnev, Anatoly
collection PubMed
description In the title compound, C(21)H(26)ClN(2)O(4)S(.)Cl, also known as tianeptine hydro­chloride, the seven-membered ring adopts a boat conformation. The dihedral angle between the mean planes of the benzene rings is 44.44 (7)°. There is an intra­molecular hydrogen bond formed via S= O⋯H—N. In the crystal, mol­ecules are connected via pairs of N—H.·O, N—H⋯Cl and O—H⋯Cl hydrogen bonds, forming inversion dimers, which are consolidated by C—H⋯O inter­actions. The dimers are linked by C—H⋯O and C—H⋯Cl inter­actions, forming a two-dimensional network lying parallel to (011).
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spelling pubmed-35152382013-01-02 7-[(3-Chloro-6-methyl-6,11-dihydro­dibenzo[c,f][1,2]thia­zepin-11-yl)amino]­hepta­noic acid S,S-dioxide hydro­chloride Mishnev, Anatoly Zvirgzdins, Alvis Actins, Andris Delina, Mara Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(21)H(26)ClN(2)O(4)S(.)Cl, also known as tianeptine hydro­chloride, the seven-membered ring adopts a boat conformation. The dihedral angle between the mean planes of the benzene rings is 44.44 (7)°. There is an intra­molecular hydrogen bond formed via S= O⋯H—N. In the crystal, mol­ecules are connected via pairs of N—H.·O, N—H⋯Cl and O—H⋯Cl hydrogen bonds, forming inversion dimers, which are consolidated by C—H⋯O inter­actions. The dimers are linked by C—H⋯O and C—H⋯Cl inter­actions, forming a two-dimensional network lying parallel to (011). International Union of Crystallography 2012-10-13 /pmc/articles/PMC3515238/ /pubmed/23284458 http://dx.doi.org/10.1107/S1600536812042432 Text en © Mishnev et al. 2012 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
Mishnev, Anatoly
Zvirgzdins, Alvis
Actins, Andris
Delina, Mara
7-[(3-Chloro-6-methyl-6,11-dihydro­dibenzo[c,f][1,2]thia­zepin-11-yl)amino]­hepta­noic acid S,S-dioxide hydro­chloride
title 7-[(3-Chloro-6-methyl-6,11-dihydro­dibenzo[c,f][1,2]thia­zepin-11-yl)amino]­hepta­noic acid S,S-dioxide hydro­chloride
title_full 7-[(3-Chloro-6-methyl-6,11-dihydro­dibenzo[c,f][1,2]thia­zepin-11-yl)amino]­hepta­noic acid S,S-dioxide hydro­chloride
title_fullStr 7-[(3-Chloro-6-methyl-6,11-dihydro­dibenzo[c,f][1,2]thia­zepin-11-yl)amino]­hepta­noic acid S,S-dioxide hydro­chloride
title_full_unstemmed 7-[(3-Chloro-6-methyl-6,11-dihydro­dibenzo[c,f][1,2]thia­zepin-11-yl)amino]­hepta­noic acid S,S-dioxide hydro­chloride
title_short 7-[(3-Chloro-6-methyl-6,11-dihydro­dibenzo[c,f][1,2]thia­zepin-11-yl)amino]­hepta­noic acid S,S-dioxide hydro­chloride
title_sort 7-[(3-chloro-6-methyl-6,11-dihydro­dibenzo[c,f][1,2]thia­zepin-11-yl)amino]­hepta­noic acid s,s-dioxide hydro­chloride
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3515238/
https://www.ncbi.nlm.nih.gov/pubmed/23284458
http://dx.doi.org/10.1107/S1600536812042432
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