Chlorimipraminium picrate.

ABSTRACT: The title compound {systematic name: 3-chloro-5-[3-(dimethyl-amino)prop-yl]-10,11-dihydro-5H-dibenz[b,f]azepinium picrate}, C(19)H(24)ClN(2) (+)·C(6)H(2)N(3)O(7) (-), crystallizes with two independent cation-anion pairs in the asymmetric unit. The chlorimipraminium cation contains two benzene rings (one with a chloro substituent) fused to a V-shaped seven-membered azepine ring whose mean planes are separated by 61.1?(0) and 66.5?(8)° with a 3-(dimethyl-amino)propyl group extending away from the apex of this ring. In the picrate anion, the mean planes of the two o-NO(2) groups in each anion are twisted by 3.7?(2)/31.9?(3) and 31.3?(1)/11.4?(0)°, respectively, with respect to the mean plane of the six-membered benzene ring. The phenolate O atoms are bent slightly away from the mean plane of the benzene ring. The mean planes of the p-NO(2) groups are twisted by 6.6?(1) and 2.88°, respectively, from the mean plane of the benzene ring. The crystal packing features bifurcated N-H?(O,O) inter-molecular hydrogen-bond inter-action, which connects each cation-anion pair. Additional ?-? ring and C-H?? weak inter-molecular inter-actions are also observed.

SUBMITTER: Jasinski JP 

PROVIDER: S-EPMC2979900 | biostudies-literature | 2010

REPOSITORIES: biostudies-literature