Desipramine hydro­chloride: 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 hydro­chloride: a non-merohedrally twinned structure. Acta Crystallographica Section E, 66 (3). o674-o675. ISSN 2056-9890

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The title compound, C18H23N2+·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 inter­mediate N—H⋯Cl hydrogen-bonding inter­actions, which produce a weak, but cooperative, infinite, one-dimensional, inter­molecular hydrogen-bond network along the 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: C Swapna Library Assistant
Date Deposited: 11 Nov 2019 10:29
Last Modified: 11 Nov 2019 10:29

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