Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 2 (February 2013)


organic compounds



bv2217 scheme

Acta Cryst. (2013). E69, o232-o233    [ doi:10.1107/S1600536813000640 ]

Olanzapinium dipicrate

C. N. Kavitha, J. P. Jasinski, A. C. Keeley, H. S. Yathirajan and A. S. Dayananda

Abstract: The asymmetric unit of the title salt [systematic name: 2-methyl-4-(4-methylpiperazin-4-ium-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepinium bis(2,4,6-trinitrophenolate)], C17H22N4S2+·2C6H2N3O7-, consists of a diprotonated olanzapinium cation and two independent picrate anions. In the cation, the piperazine ring adopts a distorted chair conformation and contains a positively charged N atom with quaternary character and the N atom in the seven-membered 1,5-diazepine ring, which adopts a boat configuration, is also protonated. The dihedral angle between the benzene and thiene rings flanking the diazepine ring is 58.8 (1)°. In one of the picrate anions, a nitro group is disordered over two sets of sites in a 0.748 (5):0.252 (5) ratio, and the benzene ring has a flat envelope conformation with the O- C atom displaced from the mean plane of the other five C atoms [maximum deviation 0.0151 (14) Å] by 0.1449 (14) Å. In the crystal, N-H...O hydrogen bonds and weak intermolecular C-H...S and C-H...O interactions link the components, forming a three-dimensional network.


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