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Olanzapinium dipicrate

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)], C(17)H(22)N(4)S(2+)·2C(6)H(2)N(3)O(7) (−), consists of a diprotonated olanzapinium cation and two independent picrate anions. In...

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Detalles Bibliográficos
Autores principales: Kavitha, C. N., Jasinski, Jerry P., Keeley, Amanda C., Yathirajan, H. S., Dayananda, A. S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3569766/
https://www.ncbi.nlm.nih.gov/pubmed/23424512
http://dx.doi.org/10.1107/S1600536813000640
Descripción
Sumario: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)], C(17)H(22)N(4)S(2+)·2C(6)H(2)N(3)O(7) (−), 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.