Olanzapinium dipicrate

Kavitha, C. N. and Jasinski, J. P. and Keeley, A. C. and Yathirajan, H. S. and Dayananda, A. S. (2013) Olanzapinium dipicrate. Acta Crystallographica Section E: Structure Reports Online, 69 (2). o232-o233. ISSN 1600-5368

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Abstract

The asymmetric unit of the title salt systematic name: 2-methyl-4-(4-methylpiperazin-4-ium-1-yl)-10H-thieno2,3-b]1,5 benzodiazepinium bis(2,4,6-trinitrophenolate), C17H 22N4S2+·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) à by 0.1449 (14) à . 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.

Item Type:	Article
Subjects:	C Chemical Science > Chemistry
Divisions:	Department of > Chemistry
Depositing User:	Arshiya Kousar Library Assistant
Date Deposited:	11 Oct 2019 05:09
Last Modified:	11 Oct 2019 05:09
URI:	http://eprints.uni-mysore.ac.in/id/eprint/8834

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