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Acta Cryst. (2005). E61, o3245-o3248 [ doi:10.1107/S1600536805028357 ]
Abstract: Quetiapine hemifumarate (systematic name: 1-[2-(2-hydroxyethoxy)ethyl]-4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazinium hemifumarate), C21H26O2N3S+·0.5C4H2O42-, a new dibenzothiazepine antipsychotic, has international approvals for the treatment of schizophrenia. In the tricyclic framework, the central thiazepine ring has a boat conformation and the dihedral angle between the planar benzene rings is 108.6 (1)°. The protonated piperazine ring exhibits a chair conformation with its ethoxyethanol side chain oriented equatorially. The fumarate anion possesses a centre of symmetry. The quetiapinium and fumarate ions are connected by O-H
O and N-HO hydrogen bonds.
Online 14 September 2005
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