Desipramine hydro-chloride: a non-merohedrally twinned structure.

ABSTRACT: The title compound, C(18)H(23)N(2) (+)·Cl(-), is a non-merohedrally twinned salt [domains 0.9288?(3) and 0.0712?(3)] which crystallizes with four independent cation-anion pairs in the asymmetric unit. The seven-membered ring in each of the cations adopts a boat conformation, thus creating a butterfly effect within the ring system. The average value of the dihedral angle between the two aromatic rings in the four cations is 57.1?(1)°. The crystal packing is stabilized only slightly by a collection of inter-mediate N-H?Cl hydrogen-bonding inter-actions, which produce a weak, but cooperative, infinite, one-dimensional, inter-molecular hydrogen-bond network along the a axis. A MOPAC PM3 computational calculation gives support to these observations.

SUBMITTER: Jasinski JP 

PROVIDER: S-EPMC2983570 | biostudies-other | 2010 Feb

REPOSITORIES: biostudies-other