Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 7 (July 2013)


organic compounds



ov3029 scheme

Acta Cryst. (2013). C69, 781-786    [ doi:10.1107/S010827011301411X ]

Three new olanzapine structures: the acetic acid monosolvate, and the propan-2-ol and propan-2-one hemisolvate monohydrates

J. Bojarska, W. Maniukiewicz and L. Sieron

Abstract: The crystal structures of three new solvates of olanzapine [systematic name: 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine], namely olanzapine acetic acid monosolvate, C17H20N4S·C2H4O2, (I), olanzapine propan-2-ol hemisolvate monohydrate, C17H20N4S·0.5C3H8O·H2O, (II), and olanzapine propan-2-one hemisolvate monohydrate, C17H20N4S·0.5C3H6O·H2O, (III), are presented and compared with other known olanzapine forms. There is a fairly close resemblance of the molecular conformation for all studied analogues. The crystal structures are built up through olanzapine dimers, which are characterized via C-H...[pi] interactions between the aliphatic fragment (1-methylpiperazin-4-yl) and the aromatic fragment (benzene system). All solvent (guest) molecules participate in hydrogen-bonding networks. The crystal packing is sustained via intermolecular Nhost-H...Oguest, Oguest-H...Nhost, Oguest-H...Oguest and Chost-H...Oguest hydrogen bonds. It should be noted that the solvent propan-2-ol in (II) and propan-2-one in (III) show orientational disorder. The propan-2-ol molecule lies close to a twofold axis, while the propan-2-one molecule resides strictly on a twofold axis through the carbonyl C atom. In both cases, the water molecules present positional disorder of the H atoms.

Formula: C17H20N4S·C2H4O2, C17H20N4S·0.5C3H8O·H2O and C17H20N4S·0.5C3H6O·H2O


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Chemical Markup Language (CML) file (7.6 kbytes)
[ doi:10.1107/S010827011301411X/ov3029Isup5.cml ]
Supplementary material


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Chemical Markup Language (CML) file (8.2 kbytes)
[ doi:10.1107/S010827011301411X/ov3029IIsup6.cml ]
Supplementary material


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Chemical Markup Language (CML) file (8.1 kbytes)
[ doi:10.1107/S010827011301411X/ov3029IIIsup7.cml ]
Supplementary material


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