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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Detalles Bibliográficos
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
Descripción
Sumario: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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