THE ASYMMETRIC UNIT OF THE TITLE SALT [SYSTEMATIC NAME: 2-methyl-4-(4-methyl-piperazin-4-ium-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepinium bis-(2,4,6-trinitro-phenolate)], 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 58.8â (1)°. In one of the picrate anions, a nitro group is disordered over two sets of sites in a 0.748â (5):0.252â (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 0.0151â (14)â à ] by 0.1449â (14)â à . In the crystal, N-Hâ¯O hydrogen bonds and weak inter-molecular C-Hâ¯S and C-Hâ¯O inter-actions link the components, forming a three-dimensional network.
Olanzapinium dipicrate.
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作者:Kavitha C N, Jasinski Jerry P, Keeley Amanda C, Yathirajan H S, Dayananda A S
| 期刊: | Acta Crystallographica Section E-Structure Reports Online | 影响因子: | 0.600 |
| 时间: | 2013 | 起止号: | 2013 Feb 1; 69(Pt 2):o232-3 |
| doi: | 10.1107/S1600536813000640 | ||
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