Trimipraminium maleate.

ABSTRACT: THE TITLE COMPOUND [SYSTEMATIC NAME: 3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N,2-trimethyl-propan-1-aminium hydrogen maleate], C(20)H(27)N(2) (+)·C(4)H(3)O(4) (-), a maleate salt of trimipramine, crystallizes with four independent cation-anion pairs in the asymmetric unit. The trimipramine cation contains a seven-membered azepine ring with two fused benzene rings whose mean planes are separated by 51.7 (1)°. Inter-molecular N-H⋯O and intra-molecular O-H⋯O hydrogen bonds pack the ions into chains along [101]. Additional weak inter-molecular C-H⋯O inter-actions help to influence the twist angles of the mean planes of the benzene rings fused to the azepine ring in the cation. A geometry-optimized MOPAC AM1 theoretical calculation supports these observations.

SUBMITTER: Jasinski JP 

PROVIDER: S-EPMC2979907 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature