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7-[(3-Chloro-6-methyl-6,11-dihydro-dibenzo[c,f][1,2]thia-zepin-11-yl)amino]-hepta-noic acid S,S-dioxide hydro-chloride.

ABSTRACT: In the title compound, C(21)H(26)ClN(2)O(4)S(.)Cl, also known as tianeptine hydro-chloride, 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 intra-molecular hydrogen bond formed via S= O?H-N. In the crystal, mol-ecules 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 inter-actions. The dimers are linked by C-H?O and C-H?Cl inter-actions, forming a two-dimensional network lying parallel to (011).

SUBMITTER: Mishnev A

PROVIDER: S-EPMC3515238 | biostudies-literature | 2012 Nov

REPOSITORIES: biostudies-literature

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7-[(3-Chloro-6-methyl-6,11-dihydro-dibenzo[c,f][1,2]thia-zepin-11-yl)amino]-hepta-noic acid S,S-dioxide hydro-chloride.

Mishnev Anatoly A Zvirgzdins Alvis A Actins Andris A Delina Mara M

Acta crystallographica. Section E, Structure reports online 20121013 Pt 11

In the title compound, C(21)H(26)ClN(2)O(4)S(.)Cl, also known as tianeptine hydro-chloride, 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 intra-molecular hydrogen bond formed via S= O⋯H-N. In the crystal, mol-ecules 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 inter-actions. The dimers are linked by C-H⋯O and C-H⋯Cl int ...[more]

PMID: 23284458

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