organic compounds
Open access
In the title compound, [systematic name: 9-fluoro-2,3-dihydro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-7H-pyrido[1,2,3-ij][1,2,4]benzoxadiazine-6-carboxylic acid], C17H19FN4O4, the carbonyl and carboxyl groups are coplanar with the quinoline ring, making a dihedral angle of 2.39 (2)°. The piperazine ring adopts a chair conformation and the oxadiazinane ring displays an envelope conformation with the CH2 group at the flap displaced by 0.650 (2) Å from the plane through the other five atoms. The molecular structure exhibits an S(6) ring motif, owing to an intramolecular O—HO hydrogen bond. In the crystal, weak C—HF hydrogen bonds link molecules into layers parallel to the ab plane.
organic compounds
Open access
The title compound (systematic name: 2-{2-[4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl 1-oxide]ethoxy}ethanol–fumaric acid (2/1)), C21H25N3O3S·0.5C4H4O4, is one of the oxidation products of quetiapine hemifumaric acid. In the tricyclic fragment, the central thiazepine ring displays a boat conformation and the benzene rings are inclined to each other at a dihedral angle of 72.0 (2)°. The piperazine ring adopts a chair conformation with its ethoxyethanol side chain oriented equatorially. In addition to the main molecule, the asymmetric unit contains one-half molecule of fumaric acid, the complete molecule being generated by inversion symmetry. In the crystal, O—HO hydrogen bonds link the components into corrugated layers parallel to bc plane.