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

Jasinski, Jerry P. and Butcher, Ray J. and Hakim Al-Arique, Q. N. M. and Yathirajan, H. S. and Ramesha, A. R. (2010) Desipramine hydro\-chloride: a non-merohedrally twinned structure. Acta Crystallographica Section E, 66 (3). O674-O675. ISSN 1600-5368

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The title compound, C\sb 18H\sb 23N\sb 2\sp +⋅Cl\sp -}}, 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){$^\circ$}. The crystal packing is stabilized only slightly by a collection of inter{\-}mediate N{---}H{$\cdots$}Cl hydrogen-bonding inter{\-}actions, which produce a weak, but cooperative, infinite, one-dimensional, inter{\-}molecular hydrogen-bond network along the {\it a} axis. A MOPAC PM3 computational calculation gives support to these observations.

Item Type: Article
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: LA manjunath user
Date Deposited: 15 Jul 2019 10:51
Last Modified: 11 Dec 2019 05:00

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