Crystal structures of vortioxetine and its methanol monosolvate.
Acta Crystallogr E Crystallogr Commun
; 71(Pt 8): 883-5, 2015 Aug 01.
Article
in En
| MEDLINE
| ID: mdl-26396746
ABSTRACT
Vortioxetine, C18H22N2S, (1), systematic name 1-{2-[(2,4-di-methyl-phen-yl)sulfan-yl]phen-yl}piperazine, a new drug used to treat patients with major depressive disorder, has been crystallized as the free base and its methanol monosolvate, C18H22N2S·CH3OH, (2). In both structures, the vortioxetine mol-ecules have similar conformations in (1), the dihedral angle between the aromatic rings is 80.04â
(16)° and in (2) it is 84.94â
(13)°. The C-S-C bond angle in (1) is 102.76â
(14)° and the corresponding angle in (2) is 103.41â
(11)°. The piperazine ring adopts a chair conformation with the exocyclic N-C bond in a pseudo-equatorial orientation in both structures. No directional inter-actions beyond normal van der Waals contacts could be identified in the crystal of (1), whereas in (2), the vortioxetine and methanol mol-ecules are linked by N-Hâ¯O and O-Hâ¯N hydrogen bonds, generating [001] chains.
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Language:
En
Journal:
Acta Crystallogr E Crystallogr Commun
Year:
2015
Document type:
Article