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

hkldisplay filedownload file

Structure factor file (CIF format) (161.8 kbytes)
[ doi:10.1107/S010827011301411X/ov3029Isup2.hkl ]
Contains datablock I

hkldisplay filedownload file

Structure factor file (CIF format) (166.2 kbytes)
[ doi:10.1107/S010827011301411X/ov3029IIsup3.hkl ]
Contains datablock II

hkldisplay filedownload file

Structure factor file (CIF format) (163.9 kbytes)
[ doi:10.1107/S010827011301411X/ov3029IIIsup4.hkl ]
Contains datablock III


To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

 bibliographic record in  format

  Find reference:   Volume   Page   
  Search:     From   to      Advanced search

Copyright © International Union of Crystallography
IUCr Webmaster