6533b853fe1ef96bd12ac33c
RESEARCH PRODUCT
7-[(3-Chloro-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acidS,S-dioxide hydrochloride
Anatoly MishnevMara DelinaAlvis ZvirgzdinsAndris Actinssubject
Hydrogen bondCyclohexane conformationGeneral ChemistryDihedral angleCondensed Matter PhysicsRing (chemistry)BioinformaticsOrganic PapersMedicinal chemistryChlorideCrystalchemistry.chemical_compoundchemistrymedicineGeneral Materials ScienceBenzenemedicine.drugdescription
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).
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2012-10-01 | Acta Crystallographica Section E Structure Reports Online |