Olanzapinium dipicrate.

ABSTRACT: 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 58.8?(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 inter-molecular C-H?S and C-H?O inter-actions link the components, forming a three-dimensional network.

SUBMITTER: Kavitha CN 

PROVIDER: S-EPMC3569766 | biostudies-literature | 2013 Feb

REPOSITORIES: biostudies-literature